Molecule

ID:46481

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₂ClNO₂
Molecular Mass
271.78298
Exact Mass
271.13390663
Charge
0
InChI
InChI=1S/C14H21NO2.ClH/c1-16-13-7-2-3-8-14(13)17-11-9-12-6-4-5-10-15-12;/h2-3,7-8,12,15H,4-6,9-11H2,1H3;1H
InChIKey
JCMXLBRGOMIDIB-UHFFFAOYSA-N
Canonic Smiles
COc1ccccc1OCCC1CCCCN1.Cl
Isomeric Smiles
N1C(CCOc2c(OC)cccc2)CCCC1.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.9619419
LogD (pH = 7.4)
-0.36903885
Log P
2.2635927
Molar Refractivity
68.3864
Polarizability
27.216015
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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