ID: ALA5273581

Max Phase: Preclinical

Molecular Formula: C19H15NO

Molecular Weight: 273.34

Representations

Canonical SMILES:  Oc1ccccc1Cn1c2ccccc2c2ccccc21

Standard InChI:  InChI=1S/C19H15NO/c21-19-12-6-1-7-14(19)13-20-17-10-4-2-8-15(17)16-9-3-5-11-18(16)20/h1-12,21H,13H2

Standard InChI Key:  JMCMEHFMCUZWDJ-UHFFFAOYSA-N

Molecule Features

Natural Product: No

Oral: No

Chemical Probe: No

Parenteral: No

Molecule Type:

Topical: No

First In Class: No

Black Box: No

Chirality: No

Availability: No

Prodrug: No

Properties

Molecular Weight: 273.34

Molecular Weight (Monoisotopic): 273.1154

AlogP: 4.55

#Rotatable Bonds: 2

Polar Surface Area: 25.16

Molecular Species: NEUTRAL

HBA: 2

HBD: 1

#RO5 Violations: 0

HBA (Lipinski): 2

HBD (Lipinski): 1

#RO5 Violations (Lipinski): 0

CX Acidic pKa: 10.09

CX Basic pKa:

CX LogP: 4.74

CX LogD: 4.73

Aromatic Rings: 4

Heavy Atoms: 21

QED Weighted: 0.57

Np Likeness Score: -0.27

References

1. Clausen JD, Kjellerup L, Cohrt KO, Hansen JB, Dalby-Brown W, Winther AL..  (2017)  Elucidation of antimicrobial activity and mechanism of action by N-substituted carbazole derivatives.,  27  (19): [PMID:28893470] [10.1016/j.bmcl.2017.08.067]

Source

Source(1):

• Scientific Literature