Molecule

ID:55816

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₁ClN₂O₂
Molecular Mass
296.79244
Exact Mass
296.1291556
Charge
0
InChI
InChI=1S/C15H20N2O2.ClH/c18-15(17-12-5-6-12)11-3-7-14(8-4-11)19-10-13-2-1-9-16-13;/h3-4,7-8,12-13,16H,1-2,5-6,9-10H2,(H,17,18);1H
InChIKey
DZVQTBYMHCUYRD-UHFFFAOYSA-N
Canonic Smiles
O=C(c1ccc(cc1)OCC1CCCN1)NC1CC1.Cl
Isomeric Smiles
O(c1ccc(cc1)C(=O)NC1CC1)CC1CCCN1.Cl
Calculated Properties
JChem
Acid pKa
15.160585
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-1.7776057
LogD (pH = 7.4)
-1.3983216
Log P
1.4566165
Molar Refractivity
73.6431
Polarizability
28.635338
Polar Surface Area
50.36
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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