Molecule

ID:73267

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₂ClNO₂
Molecular Mass
261.70358
Exact Mass
261.05565631
Charge
0
InChI
InChI=1S/C14H12ClNO2/c1-9-11(15)6-4-8-12(9)16-13-7-3-2-5-10(13)14(17)18/h2-8,16H,1H3,(H,17,18)
InChIKey
YEZNLOUZAIOMLT-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1ccccc1Nc1cccc(c1C)Cl
Isomeric Smiles
c1(Nc2cccc(c2C)Cl)c(cccc1)C(=O)O
Calculated Properties
JChem
Acid pKa
3.8788524
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
3.86207
LogD (pH = 7.4)
2.2637985
Log P
5.4882207
Molar Refractivity
71.6464
Polarizability
27.01863
Polar Surface Area
49.33
Rotatable Bonds
3
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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