Molecule

ID:101134

General Information
Structure
MolImage
Molecular Formula
C₉H₇ClO₂
Molecular Mass
182.60368
Exact Mass
182.01345714
Charge
0
InChI
InChI=1S/C9H7ClO2/c10-9(11)8-5-6-3-1-2-4-7(6)12-8/h1-4,8H,5H2
InChIKey
QZVPHVMVWZKULP-UHFFFAOYSA-N
Canonic Smiles
ClC(=O)C1Cc2c(O1)cccc2
Isomeric Smiles
O1C(C(=O)Cl)Cc2c1cccc2
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.0787323
LogD (pH = 7.4)
2.0787323
Log P
2.0787323
Molar Refractivity
45.5192
Polarizability
17.76114
Polar Surface Area
26.3
Rotatable Bonds
1
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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