Molecule

ID:80748

General Information
Structure
MolImage
Molecular Formula
C₁₀H₇ClO₂
Molecular Mass
194.61438
Exact Mass
194.01345714
Charge
0
InChI
InChI=1S/C10H7ClO2/c11-10(12)8-5-7-3-1-2-4-9(7)13-6-8/h1-5H,6H2
InChIKey
RTKZPVOAMHWVCN-UHFFFAOYSA-N
Canonic Smiles
ClC(=O)C1=Cc2c(OC1)cccc2
Isomeric Smiles
O1CC(=Cc2ccccc12)C(=O)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.145101
LogD (pH = 7.4)
2.145101
Log P
2.145101
Molar Refractivity
51.2521
Polarizability
19.415422
Polar Surface Area
26.3
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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