Molecule

ID:69954

General Information
Structure
MolImage
Molecular Formula
C₇H₄ClNO
Molecular Mass
153.56576
Exact Mass
152.99814143
Charge
0
InChI
InChI=1S/C7H4ClNO/c8-7-9-5-3-1-2-4-6(5)10-7/h1-4H
InChIKey
BBVQDWDBTWSGHQ-UHFFFAOYSA-N
Canonic Smiles
Clc1nc2c(o1)cccc2
Isomeric Smiles
o1c(nc2c1cccc2)Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.2338798
LogD (pH = 7.4)
2.2338798
Log P
2.2338798
Molar Refractivity
37.749
Polarizability
15.843683
Polar Surface Area
26.03
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
References
Bioactivity
Navigation