Molecule

ID:57168

General Information
Structure
MolImage
Molecular Formula
C₁₀H₇ClO₃
Molecular Mass
210.61378
Exact Mass
210.00837176
Charge
0
InChI
InChI=1S/C10H7ClO3/c11-10(12)4-2-7-1-3-8-9(5-7)14-6-13-8/h1-5H,6H2/b4-2+
InChIKey
WBJQTHIVYWAEDD-DUXPYHPUSA-N
Canonic Smiles
ClC(=O)/C=C/c1ccc2c(c1)OCO2
Isomeric Smiles
C1Oc2ccc(/C=C/C(=O)Cl)cc2O1
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.2926493
LogD (pH = 7.4)
2.2926493
Log P
2.2926493
Molar Refractivity
52.6853
Polarizability
20.124975
Polar Surface Area
35.53
Rotatable Bonds
2
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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