Molecule

ID:15321

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₂ClNO
Molecular Mass
255.78358
Exact Mass
255.13899201
Charge
0
InChI
InChI=1S/C14H21NO.ClH/c1-11(2)13-5-3-4-6-14(13)16-12-7-9-15-10-8-12;/h3-6,11-12,15H,7-10H2,1-2H3;1H
InChIKey
WMOAKELJPYGMHB-UHFFFAOYSA-N
Canonic Smiles
CC(c1ccccc1OC1CCNCC1)C.Cl
Isomeric Smiles
c1(c(C(C)C)cccc1)OC1CCNCC1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.5030568
LogD (pH = 7.4)
0.3412619
Log P
2.704342
Molar Refractivity
66.8684
Polarizability
26.482737
Polar Surface Area
21.26
Rotatable Bonds
3
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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