Molecule

ID:14476

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₉ClN₂O₂
Molecular Mass
306.78726
Exact Mass
306.11350554
Charge
0
InChI
InChI=1S/C16H18N2O2.ClH/c1-20-15-9-5-8-14(10-15)18-16(19)12-17-11-13-6-3-2-4-7-13;/h2-10,17H,11-12H2,1H3,(H,18,19);1H
InChIKey
UYDXYMABZHROLZ-UHFFFAOYSA-N
Canonic Smiles
COc1cccc(c1)NC(=O)CNCc1ccccc1.Cl
Isomeric Smiles
c1(cc(ccc1)OC)NC(=O)CNCc1ccccc1.Cl
Calculated Properties
JChem
Acid pKa
13.144215
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-0.31025898
LogD (pH = 7.4)
1.4180784
Log P
2.2862086
Molar Refractivity
80.1311
Polarizability
30.690748
Polar Surface Area
50.36
Rotatable Bonds
6
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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