Molecule

ID:11272

General Information
Structure
Molecular Formula
C₁₆H₂₀ClNO
Molecular Mass
277.7891
Exact Mass
277.12334195
Charge
0
InChI
InChI=1S/C16H19NO.ClH/c1-18-16-10-6-5-9-15(16)13-17-12-11-14-7-3-2-4-8-14;/h2-10,17H,11-13H2,1H3;1H
InChIKey
JNCKTVRAIZBHMR-UHFFFAOYSA-N
Canonic Smiles
COc1ccccc1CNCCc1ccccc1.Cl
Isomeric Smiles
c1(c(OC)cccc1)CNCCc1ccccc1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.2547184
LogD (pH = 7.4)
1.5166702
Log P
3.3870578
Molar Refractivity
75.1368
Polarizability
29.469116
Polar Surface Area
21.26
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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