Molecule

ID:30261

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₈ClNO₂
Molecular Mass
291.77262
Exact Mass
291.1026065
Charge
0
InChI
InChI=1S/C16H17NO2.ClH/c1-2-4-13(5-3-1)8-9-17-11-14-6-7-15-16(10-14)19-12-18-15;/h1-7,10,17H,8-9,11-12H2;1H
InChIKey
LVHUFQKKFRQDAB-UHFFFAOYSA-N
Canonic Smiles
c1ccc(cc1)CCNCc1ccc2c(c1)OCO2.Cl
Isomeric Smiles
c12c(OCO1)ccc(c2)CNCCc1ccccc1.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.019037018
LogD (pH = 7.4)
0.9927931
Log P
3.1679626
Molar Refractivity
74.4405
Polarizability
29.368122
Polar Surface Area
30.49
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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