Molecule

ID:25583

General Information
Structure
MolImage
Molecular Formula
C₁₉H₁₆ClNO₂
Molecular Mass
325.78884
Exact Mass
325.08695644
Charge
0
InChI
InChI=1S/C19H16ClNO2/c1-10-4-5-13(8-11(10)2)17-9-15(19(22)23)14-6-7-16(20)12(3)18(14)21-17/h4-9H,1-3H3,(H,22,23)
InChIKey
PQJXCQMMSKMAMH-UHFFFAOYSA-N
Canonic Smiles
Cc1cc(ccc1C)c1cc(C(=O)O)c2c(n1)c(C)c(cc2)Cl
Isomeric Smiles
c12nc(cc(c1ccc(c2C)Cl)C(=O)O)c1cc(c(cc1)C)C
Calculated Properties
JChem
Acid pKa
3.5803845
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
4.049949
LogD (pH = 7.4)
2.6155133
Log P
5.965868
Molar Refractivity
91.9281
Polarizability
37.411148
Polar Surface Area
50.19
Rotatable Bonds
2
Lipinski's Rule of Five
false
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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