Molecule

ID:46686

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₂ClNO
Molecular Mass
255.78358
Exact Mass
255.13899201
Charge
0
InChI
InChI=1S/C14H21NO.ClH/c1-2-3-12-4-6-14(7-5-12)16-11-13-8-9-15-10-13;/h4-7,13,15H,2-3,8-11H2,1H3;1H
InChIKey
GIJBBGMYZYXNSY-UHFFFAOYSA-N
Canonic Smiles
CCCc1ccc(cc1)OCC1CNCC1.Cl
Isomeric Smiles
N1CC(COc2ccc(cc2)CCC)CC1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.32009283
LogD (pH = 7.4)
-0.16148293
Log P
2.9194803
Molar Refractivity
67.039
Polarizability
26.481995
Polar Surface Area
21.26
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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