Molecule

ID:45430

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₃ClN₂O₂
Molecular Mass
276.71822
Exact Mass
276.06655535
Charge
0
InChI
InChI=1S/C14H13ClN2O2/c1-19-11-5-2-9(3-6-11)14(18)17-13-7-4-10(16)8-12(13)15/h2-8H,16H2,1H3,(H,17,18)
InChIKey
AYKCHNMVEYWFSP-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1)C(=O)Nc1ccc(cc1Cl)N
Isomeric Smiles
C(=O)(Nc1c(cc(N)cc1)Cl)c1ccc(cc1)OC
Calculated Properties
JChem
Acid pKa
11.592207
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
2.6804183
LogD (pH = 7.4)
2.6825242
Log P
2.682578
Molar Refractivity
77.5599
Polarizability
28.481434
Polar Surface Area
64.35
Rotatable Bonds
3
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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