Molecule

ID:11258

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₀ClNO₂
Molecular Mass
235.6663
Exact Mass
235.04000625
Charge
0
InChI
InChI=1S/C12H10ClNO2/c1-6-3-4-8-5-9(12(15)16)11(13)14-10(8)7(6)2/h3-5H,1-2H3,(H,15,16)
InChIKey
XPJKMZUUGBJFKA-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1cc2ccc(c(c2nc1Cl)C)C
Isomeric Smiles
c1(c(nc2c(c1)ccc(c2C)C)Cl)C(=O)O
Calculated Properties
JChem
Acid pKa
3.6457868
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.7881653
LogD (pH = 7.4)
0.31295824
Log P
3.639548
Molar Refractivity
63.184
Polarizability
24.740736
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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