Molecule

ID:11096

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₂ClNO₂
Molecular Mass
271.78298
Exact Mass
271.13390663
Charge
0
InChI
InChI=1S/C14H21NO2.ClH/c1-16-13-8-7-11(9-14(13)17-2)10-15-12-5-3-4-6-12;/h7-9,12,15H,3-6,10H2,1-2H3;1H
InChIKey
LZIWSMCZOQHSMJ-UHFFFAOYSA-N
Canonic Smiles
COc1cc(CNC2CCCC2)ccc1OC.Cl
Isomeric Smiles
c1c(cc(c(c1)OC)OC)CNC1CCCC1.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.6348507
LogD (pH = 7.4)
0.22552636
Log P
2.570954
Molar Refractivity
68.6456
Polarizability
27.211267
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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