Molecule

ID:41668

General Information
Structure
MolImage
Molecular Formula
C₁₇H₁₇ClN₂O₃
Molecular Mass
332.78148
Exact Mass
332.09277009
Charge
0
InChI
InChI=1S/C17H17ClN2O3/c18-14-8-6-13(7-9-14)17(23)19-10-16(22)20-15(11-21)12-4-2-1-3-5-12/h1-9,15,21H,10-11H2,(H,19,23)(H,20,22)
InChIKey
IWUOBWOOVYKYKH-UHFFFAOYSA-N
Canonic Smiles
OCC(c1ccccc1)NC(=O)CNC(=O)c1ccc(cc1)Cl
Isomeric Smiles
C(=O)(NCC(=O)NC(c1ccccc1)CO)c1ccc(cc1)Cl
Calculated Properties
JChem
Acid pKa
12.173102
H Acceptors
3
H Donor
3
LogD (pH = 5.5)
1.6404617
LogD (pH = 7.4)
1.6404552
Log P
1.6404618
Molar Refractivity
88.2165
Polarizability
33.84187
Polar Surface Area
78.43
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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