ID: ALA2298144

Max Phase: Preclinical

Molecular Formula: C19H11Cl2NO2

Molecular Weight: 356.21

Molecule Type: Small molecule

Representations

Canonical SMILES:  O=C1/C(=C\c2ccco2)c2ccccc2N1c1c(Cl)cccc1Cl

Standard InChI:  InChI=1S/C19H11Cl2NO2/c20-15-7-3-8-16(21)18(15)22-17-9-2-1-6-13(17)14(19(22)23)11-12-5-4-10-24-12/h1-11H/b14-11-

Standard InChI Key:  QWBVGQSWIOWZLL-KAMYIIQDSA-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: 356.21

Molecular Weight (Monoisotopic): 355.0167

AlogP: 5.81

#Rotatable Bonds: 2

Polar Surface Area: 33.45

Molecular Species: NEUTRAL

HBA: 2

HBD: 0

#RO5 Violations: 1

HBA (Lipinski): 3

HBD (Lipinski): 0

#RO5 Violations (Lipinski): 1

CX Acidic pKa:

CX Basic pKa:

CX LogP: 5.06

CX LogD: 5.06

Aromatic Rings: 3

Heavy Atoms: 24

QED Weighted: 0.54

Np Likeness Score: -1.09

References

1. Manvar A, Bavishi A, Loriya R, Jaggi M, Shah A.  (2013)  In vitro cytotoxicity evaluation of diversely substituted N-aryl-2-oxindoles,  22  (7): [10.1007/s00044-012-0309-2]

Source

Source(1):

• Scientific Literature