Molecule

ID:86666

General Information
Structure
MolImage
Molecular Formula
C₈H₇ClO₂
Molecular Mass
170.59298
Exact Mass
170.01345714
Charge
0
InChI
InChI=1S/C8H7ClO2/c1-11-7-5-3-2-4-6(7)8(9)10/h2-5H,1H3
InChIKey
RZNHSEZOLFEFGB-UHFFFAOYSA-N
Canonic Smiles
COc1ccccc1C(=O)Cl
Isomeric Smiles
O=C(c1ccccc1OC)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.0064871
LogD (pH = 7.4)
2.0064871
Log P
2.0064871
Molar Refractivity
43.6359
Polarizability
16.621872
Polar Surface Area
26.3
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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