Molecule

ID:51544

General Information
Structure
MolImage
Molecular Formula
C₇H₆ClNO₂
Molecular Mass
171.58104
Exact Mass
171.00870612
Charge
0
InChI
InChI=1S/C7H6ClNO2/c8-5-1-2-9-7-6(5)10-3-4-11-7/h1-2H,3-4H2
InChIKey
DEJQDCVTJHJEMP-UHFFFAOYSA-N
Canonic Smiles
Clc1ccnc2c1OCCO2
Isomeric Smiles
c1cnc2c(c1Cl)OCCO2
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.4670981
LogD (pH = 7.4)
1.4672067
Log P
1.4672081
Molar Refractivity
39.9768
Polarizability
15.721511
Polar Surface Area
31.35
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