ID: ALA2269712

Max Phase: Preclinical

Molecular Formula: C13H11Cl2NO3

Molecular Weight: 300.14

Molecule Type: Small molecule

Representations

Canonical SMILES:  C=C(C)C1(C)OC(=O)N(c2cc(Cl)cc(Cl)c2)C1=O

Standard InChI:  InChI=1S/C13H11Cl2NO3/c1-7(2)13(3)11(17)16(12(18)19-13)10-5-8(14)4-9(15)6-10/h4-6H,1H2,2-3H3

Standard InChI Key:  HUWJSWFNMDBVBX-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: 300.14

Molecular Weight (Monoisotopic): 299.0116

AlogP: 3.81

#Rotatable Bonds: 2

Polar Surface Area: 46.61

Molecular Species:

HBA: 3

HBD: 0

#RO5 Violations: 0

HBA (Lipinski): 4

HBD (Lipinski): 0

#RO5 Violations (Lipinski): 0

CX Acidic pKa:

CX Basic pKa:

CX LogP: 3.99

CX LogD: 3.99

Aromatic Rings: 1

Heavy Atoms: 19

QED Weighted: 0.78

Np Likeness Score: -0.12

References

1. HIRAI K, YANO T, MATSUKAWA T, UGAI S, NAGATO S, HORI M.  (1999)  Synthesis and Herbicidal Activity of New Oxazolidinedione Derivatives,  24  (2): [10.1584/jpestics.24.156]

Source

Source(1):

• Scientific Literature