Molecule

ID:47227

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₂ClNO
Molecular Mass
255.78358
Exact Mass
255.13899201
Charge
0
InChI
InChI=1S/C14H21NO.ClH/c1-14(2,3)11-5-4-6-12(9-11)16-13-7-8-15-10-13;/h4-6,9,13,15H,7-8,10H2,1-3H3;1H
InChIKey
NUAQLLCAWILVJS-UHFFFAOYSA-N
Canonic Smiles
CC(c1cccc(c1)OC1CNCC1)(C)C.Cl
Isomeric Smiles
c1(C(C)(C)C)cc(OC2CCNC2)ccc1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.28606975
LogD (pH = 7.4)
0.1983818
Log P
2.9444292
Molar Refractivity
66.4781
Polarizability
26.480904
Polar Surface Area
21.26
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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