ID: ALA45526

Max Phase: Preclinical

Molecular Formula: C9H17NO

Molecular Weight: 155.24

Molecule Type: Small molecule

Representations

Canonical SMILES:  CCN(C=O)C1CCCCC1

Standard InChI:  InChI=1S/C9H17NO/c1-2-10(8-11)9-6-4-3-5-7-9/h8-9H,2-7H2,1H3

Standard InChI Key:  BNTVUXYRPWLPFG-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: No

Availability: No

Prodrug: No

Properties

Molecular Weight: 155.24

Molecular Weight (Monoisotopic): 155.1310

AlogP: 1.80

#Rotatable Bonds: 3

Polar Surface Area: 20.31

Molecular Species: NEUTRAL

HBA: 1

HBD: 0

#RO5 Violations: 0

HBA (Lipinski): 2

HBD (Lipinski): 0

#RO5 Violations (Lipinski): 0

CX Acidic pKa:

CX Basic pKa:

CX LogP: 1.52

CX LogD: 1.52

Aromatic Rings: 0

Heavy Atoms: 11

QED Weighted: 0.57

Np Likeness Score: -0.34

References

1. Schindler JF, Berst KB, Plapp BV..  (1998)  Inhibition of human alcohol dehydrogenases by formamides.,  41  (10): [PMID:9572895] [10.1021/jm9707380]

Source

Source(1):

• Scientific Literature