Molecule

ID:50038

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₉ClN₂O₂
Molecular Mass
306.78726
Exact Mass
306.11350554
Charge
0
InChI
InChI=1S/C16H18N2O2.ClH/c1-20-14-9-7-13(8-10-14)18-16(19)15(17)11-12-5-3-2-4-6-12;/h2-10,15H,11,17H2,1H3,(H,18,19);1H
InChIKey
GOGGSQKYOCTTMB-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1)NC(=O)C(Cc1ccccc1)N.Cl
Isomeric Smiles
C(=O)(Nc1ccc(cc1)OC)C(Cc1ccccc1)N.Cl
Calculated Properties
JChem
Acid pKa
13.835301
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-0.034397982
LogD (pH = 7.4)
1.6596785
Log P
2.3542457
Molar Refractivity
79.8568
Polarizability
30.691828
Polar Surface Area
64.35
Rotatable Bonds
5
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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