Molecule

ID:117658

General Information
Structure
MolImage
Molecular Formula
C₁₀H₇ClO₂
Molecular Mass
194.61438
Exact Mass
194.01345714
Charge
0
InChI
InChI=1S/C10H7ClO2/c11-6-8-5-7-3-1-2-4-9(7)13-10(8)12/h1-5H,6H2
InChIKey
NVPFWJFBCWOYSV-UHFFFAOYSA-N
Canonic Smiles
ClCc1cc2ccccc2oc1=O
Isomeric Smiles
c1(c(=O)oc2c(c1)cccc2)CCl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.2527308
LogD (pH = 7.4)
2.2527308
Log P
2.2527308
Molar Refractivity
50.7314
Polarizability
19.373713
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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