Molecule

ID:50064

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₃ClN₂O₂
Molecular Mass
298.80832
Exact Mass
298.14480567
Charge
0
InChI
InChI=1S/C15H22N2O2.ClH/c16-14(10-12-4-2-1-3-5-12)15(18)17-11-13-6-8-19-9-7-13;/h1-5,13-14H,6-11,16H2,(H,17,18);1H
InChIKey
JWEBWWYRTZOXCV-UHFFFAOYSA-N
Canonic Smiles
O=C(C(Cc1ccccc1)N)NCC1CCOCC1.Cl
Isomeric Smiles
C(=O)(NCC1CCOCC1)C(Cc1ccccc1)N.Cl
Calculated Properties
JChem
Acid pKa
15.721639
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-1.4809229
LogD (pH = 7.4)
0.21284811
Log P
0.9161354
Molar Refractivity
75.1287
Polarizability
29.598694
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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