Molecule

ID:72193

General Information
Structure
MolImage
Molecular Formula
C₆H₇ClN₂O
Molecular Mass
158.58558
Exact Mass
158.02469053
Charge
0
InChI
InChI=1S/C6H7ClN2O/c7-3-5-8-6(10-9-5)4-1-2-4/h4H,1-3H2
InChIKey
VIIBOHRJBXNITD-UHFFFAOYSA-N
Canonic Smiles
ClCc1noc(n1)C1CC1
Isomeric Smiles
o1c(nc(n1)CCl)C1CC1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.8060174
LogD (pH = 7.4)
1.8060174
Log P
1.8060174
Molar Refractivity
37.8916
Polarizability
13.951593
Polar Surface Area
38.92
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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