ID: ALA2253489

Max Phase: Preclinical

Molecular Formula: C22H48ClP

Molecular Weight: 343.60

Molecule Type: Small molecule

Representations

Canonical SMILES:  CCCCCCCCCC[P+](C)(C)CCCCCCCCCC.[Cl-]

Standard InChI:  InChI=1S/C22H48P.ClH/c1-5-7-9-11-13-15-17-19-21-23(3,4)22-20-18-16-14-12-10-8-6-2;/h5-22H2,1-4H3;1H/q+1;/p-1

Standard InChI Key:  WUZCDFBPIXZGSA-UHFFFAOYSA-M

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: No

Availability: No

Prodrug: No

Properties

Molecular Weight: 343.60

Molecular Weight (Monoisotopic): 343.3488

AlogP: 8.55

#Rotatable Bonds: 18

Polar Surface Area: 0.00

Molecular Species:

HBA: 0

HBD: 0

#RO5 Violations: 1

HBA (Lipinski): 0

HBD (Lipinski): 0

#RO5 Violations (Lipinski): 1

CX Acidic pKa:

CX Basic pKa:

CX LogP: 8.47

CX LogD: 8.47

Aromatic Rings: 0

Heavy Atoms: 23

QED Weighted: 0.17

Np Likeness Score: 0.14

References

1. Kanazawa A, Ikeda T, Endo T..  (1994)  Synthesis and antimicrobial activity of dimethyl- and trimethyl-substituted phosphonium salts with alkyl chains of various lengths.,  38  (5): [PMID:8067774] [10.1128/aac.38.5.945]

Source

Source(1):

• Scientific Literature