Molecule

ID:25573

General Information
Structure
MolImage
Molecular Formula
C₂₀H₁₈ClNO₂
Molecular Mass
339.81542
Exact Mass
339.1026065
Charge
0
InChI
InChI=1S/C20H18ClNO2/c1-11(2)13-4-6-14(7-5-13)18-10-16(20(23)24)15-8-9-17(21)12(3)19(15)22-18/h4-11H,1-3H3,(H,23,24)
InChIKey
GZEGTZURSWWXPB-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1cc(nc2c1ccc(c2C)Cl)c1ccc(cc1)C(C)C
Isomeric Smiles
c12nc(cc(c1ccc(c2C)Cl)C(=O)O)c1ccc(cc1)C(C)C
Calculated Properties
JChem
Acid pKa
3.5803485
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
4.2681212
LogD (pH = 7.4)
2.8336816
Log P
6.1840343
Molar Refractivity
96.0365
Polarizability
39.335983
Polar Surface Area
50.19
Rotatable Bonds
3
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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