Molecule

ID:57967

General Information
Structure
MolImage
Molecular Formula
C₁₁H₇ClO₂
Molecular Mass
206.62508
Exact Mass
206.01345714
Charge
0
InChI
InChI=1S/C11H7ClO2/c12-10-6-2-3-7-8(10)4-1-5-9(7)11(13)14/h1-6H,(H,13,14)
InChIKey
CPGDMBASSDNQIS-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1cccc2c1cccc2Cl
Isomeric Smiles
c1cc(c2c(c1)c(ccc2)C(=O)O)Cl
Calculated Properties
JChem
Acid pKa
3.6141996
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.3426923
LogD (pH = 7.4)
-0.11368136
Log P
3.2243502
Molar Refractivity
54.5692
Polarizability
22.026976
Polar Surface Area
37.3
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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