Molecule

ID:38076

General Information
Structure
MolImage
Molecular Formula
C₇H₆ClNO₂
Molecular Mass
171.58104
Exact Mass
171.00870612
Charge
0
InChI
InChI=1S/C7H6ClNO2/c8-7(10)5-3-6(11-9-5)4-1-2-4/h3-4H,1-2H2
InChIKey
WBXZKRXYZLOYAU-UHFFFAOYSA-N
Canonic Smiles
ClC(=O)c1noc(c1)C1CC1
Isomeric Smiles
c1(noc(c1)C1CC1)C(=O)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.5378847
LogD (pH = 7.4)
1.5378847
Log P
1.5378847
Molar Refractivity
40.5858
Polarizability
14.943209
Polar Surface Area
43.1
Rotatable Bonds
2
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
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