Molecule

ID:22856

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₅ClN₂O₂
Molecular Mass
290.7448
Exact Mass
290.08220541
Charge
0
InChI
InChI=1S/C15H15ClN2O2/c1-20-14-7-6-12(17)9-13(14)18-15(19)8-10-2-4-11(16)5-3-10/h2-7,9H,8,17H2,1H3,(H,18,19)
InChIKey
ZCHKNLITGUXUCW-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1NC(=O)Cc1ccc(cc1)Cl)N
Isomeric Smiles
c1(NC(=O)Cc2ccc(Cl)cc2)cc(N)ccc1OC
Calculated Properties
JChem
Acid pKa
12.268609
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
2.6052835
LogD (pH = 7.4)
2.6619644
Log P
2.6627436
Molar Refractivity
81.6113
Polarizability
30.326906
Polar Surface Area
64.35
Rotatable Bonds
4
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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