ID: ALA1334078

Max Phase: Approved

Molecular Formula: ClNaO

Molecular Weight: 52.46

Molecule Type: Small molecule

Representations

Synonyms (6): Clorox | Dakin's solution | Household bleach | Hypochlorous acid, sodium salt | Natrum hypochlorosum | Sodium hypochlorite
Synonyms from Alternative Forms(6):

Trade Names(5): Actichlor | Chlorasol | Milton in emuls wax | Milton in liq paraf | Milton no.2

Canonical SMILES:  [Na+].[O-]Cl

Standard InChI:  InChI=1S/ClO.Na/c1-2;/q-1;+1

Standard InChI Key:  SUKJFIGYRHOWBL-UHFFFAOYSA-N

Molecule Features

Natural Product: No

Oral: No

Chemical Probe: No

Parenteral: No

Molecule Type: Small molecule

Topical: No

First In Class: No

Black Box: No

Chirality: Yes

Availability: No

Prodrug: No

Properties

Molecular Weight: 52.46

Molecular Weight (Monoisotopic): 51.9716

AlogP: 0.13

#Rotatable Bonds: 0

Polar Surface Area: 20.23

Molecular Species: NEUTRAL

HBA: 1

HBD: 1

#RO5 Violations: 0

HBA (Lipinski): 1

HBD (Lipinski): 1

#RO5 Violations (Lipinski): 0

CX Acidic pKa: 7.93

CX Basic pKa:

CX LogP: 0.32

CX LogD: 0.21

Aromatic Rings: 0

Heavy Atoms: 2

QED Weighted: 0.42

Np Likeness Score: -0.04

References

1. PubChem BioAssay data set, 

2. USP Dictionary of USAN and International Names (2010 edition) and USAN registrations 2007-date, 

3. Nel B, Steinberg C, Labuschagne N, Viljoen A..  (2007)  Evaluation of fungicides and sterilants for potential application in the management of Fusarium wilt of banana,  26  (4): [10.1016/j.cropro.2006.06.008]

4. Sánchez-Navarro JA, Cañizares MC, Cano EA, Pallás V..  (2007)  Plant tissue distribution and chemical inactivation of six carnation viruses.,  26  (7): [PMID:32287715] [10.1016/j.cropro.2006.09.016]

5. Alvindia DG, Natsuaki KT..  (2007)  Control of crown rot-causing fungal pathogens of banana by inorganic salts and a surfactant,  26  (11): [10.1016/j.cropro.2007.02.008]

6. WHO Anatomical Therapeutic Chemical Classification, 

7. British National Formulary (72nd edition), 

8. Unpublished dataset, 

Source

Source(6):

• Scientific Literature
• PubChem BioAssays
• Clinical Candidates
• USP Dictionary of USAN and International Drug Names
• WHO Anatomical Therapeutic Chemical Classification
• British National Formulary