Molecule
ID:124872
General Information
Molecular Formula
C₁₅H₁₇ClN₂O
Molecular Mass
276.76128
Exact Mass
276.10294085
Charge
0
InChI
InChI=1S/C15H16N2O.ClH/c16-11-14(18)17-15(12-7-3-1-4-8-12)13-9-5-2-6-10-13;/h1-10,15H,11,16H2,(H,17,18);1H
InChIKey
IBFZJJZCBQAWRV-UHFFFAOYSA-N
Canonic Smiles
NCC(=O)NC(c1ccccc1)c1ccccc1.Cl
Isomeric Smiles
N(C(c1ccccc1)c1ccccc1)C(=O)CN.Cl
Calculated Properties
JChem
Acid pKa
13.290851
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-0.71441144
LogD (pH = 7.4)
0.9688686
Log P
1.7779711
Molar Refractivity
71.6177
Polarizability
28.200571
Polar Surface Area
55.12
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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