Molecule

ID:118660

General Information
Structure
MolImage
Molecular Formula
C₁₀H₇ClO₃
Molecular Mass
210.61378
Exact Mass
210.00837176
Charge
0
InChI
InChI=1S/C10H7ClO3/c11-5-6-3-10(13)14-9-2-1-7(12)4-8(6)9/h1-4,12H,5H2
InChIKey
WGJIFHRBMQMSMV-UHFFFAOYSA-N
Canonic Smiles
ClCc1cc(=O)oc2c1cc(O)cc2
Isomeric Smiles
c1(c2c(oc(=O)c1)ccc(c2)O)CCl
Calculated Properties
JChem
Acid pKa
9.3576565
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.8529497
LogD (pH = 7.4)
1.8482765
Log P
1.8530096
Molar Refractivity
52.6372
Polarizability
20.01761
Polar Surface Area
46.53
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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