ID: ALA2272216

Max Phase: Preclinical

Molecular Formula: C15H10BrFO

Molecular Weight: 305.15

Molecule Type: Small molecule

Representations

Canonical SMILES:  O=C(/C=C/c1ccc(Br)cc1)c1ccc(F)cc1

Standard InChI:  InChI=1S/C15H10BrFO/c16-13-6-1-11(2-7-13)3-10-15(18)12-4-8-14(17)9-5-12/h1-10H/b10-3+

Standard InChI Key:  FAPZWXLSPXMLJB-XCVCLJGOSA-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: 305.15

Molecular Weight (Monoisotopic): 303.9899

AlogP: 4.48

#Rotatable Bonds: 3

Polar Surface Area: 17.07

Molecular Species:

HBA: 1

HBD: 0

#RO5 Violations: 0

HBA (Lipinski): 1

HBD (Lipinski): 0

#RO5 Violations (Lipinski): 0

CX Acidic pKa:

CX Basic pKa:

CX LogP: 4.80

CX LogD: 4.80

Aromatic Rings: 2

Heavy Atoms: 18

QED Weighted: 0.60

Np Likeness Score: -0.70

References

1. Thirunarayanan G, Vanangamudi G.  (2011)  Synthesis, spectral studies, antimicrobial and insect antifeedant activities of some substituted styryl 4-fluorophenyl ketones,  [10.1016/j.arabjc.2010.10.034]

Source

Source(1):

• Scientific Literature