Molecule

ID:31040

General Information
Structure
MolImage
Molecular Formula
C₁₁H₈ClNO₂
Molecular Mass
221.63972
Exact Mass
221.02435618
Charge
0
InChI
InChI=1S/C11H8ClNO2/c1-6-9(11(14)15)5-7-4-8(12)2-3-10(7)13-6/h2-5H,1H3,(H,14,15)
InChIKey
BXNOWQXNZZNEJV-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc2c(c1)cc(c(n2)C)C(=O)O
Isomeric Smiles
c1(c(nc2c(c1)cc(cc2)Cl)C)C(=O)O
Calculated Properties
JChem
Acid pKa
1.9933468
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.58675265
LogD (pH = 7.4)
-0.82665354
Log P
1.7447376
Molar Refractivity
56.6318
Polarizability
22.89624
Polar Surface Area
50.19
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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