ID: ALA2253491

Max Phase: Preclinical

Molecular Formula: C17H38ClP

Molecular Weight: 273.46

Molecule Type: Small molecule

Representations

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

Standard InChI:  InChI=1S/C17H38P.ClH/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18(2,3)4;/h5-17H2,1-4H3;1H/q+1;/p-1

Standard InChI Key:  KDNBFSGJXLQPKZ-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: 273.46

Molecular Weight (Monoisotopic): 273.2706

AlogP: 6.59

#Rotatable Bonds: 13

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: 6.36

CX LogD: 6.36

Aromatic Rings: 0

Heavy Atoms: 18

QED Weighted: 0.26

Np Likeness Score: 0.18

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