Molecule

ID:61808

General Information

Structure

Molecular Formula

C₇H₆ClNO

Molecular Mass

155.58164

Exact Mass

155.0137915

Charge

0

InChI

InChI=1S/C7H6ClNO/c1-5-2-6(7(8)10)4-9-3-5/h2-4H,1H3

InChIKey

OSFVFNVXUQRYIX-UHFFFAOYSA-N

Canonic Smiles

Cc1cc(cnc1)C(=O)Cl

Isomeric Smiles

C(=O)(c1cc(cnc1)C)Cl

Calculated Properties

JChem

H Acceptors

2

H Donor

0

LogD (pH = 5.5)

1.449892

LogD (pH = 7.4)

1.4597795

Log P

1.4599073

Molar Refractivity

40.057

Polarizability

14.974059

Polar Surface Area

29.96

Rotatable Bonds

1

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

Registration numbers

Properties

Related Proteins

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Molecular Spectra

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Molecule Details

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References

Bioactivity