Molecule

ID:47210

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₂ClNO
Molecular Mass
255.78358
Exact Mass
255.13899201
Charge
0
InChI
InChI=1S/C14H21NO.ClH/c1-2-6-12-7-3-4-9-14(12)16-13-8-5-10-15-11-13;/h3-4,7,9,13,15H,2,5-6,8,10-11H2,1H3;1H
InChIKey
JSXFGSOERHLSMD-UHFFFAOYSA-N
Canonic Smiles
CCCc1ccccc1OC1CCCNC1.Cl
Isomeric Smiles
c1(OC2CNCCC2)c(CCC)cccc1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.14964683
LogD (pH = 7.4)
1.2616144
Log P
3.3192945
Molar Refractivity
66.7
Polarizability
26.483343
Polar Surface Area
21.26
Rotatable Bonds
4
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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