Molecule

ID:47368

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₂ClNO₂
Molecular Mass
271.78298
Exact Mass
271.13390663
Charge
0
InChI
InChI=1S/C14H21NO2.ClH/c1-16-14-6-2-4-12(8-14)10-17-11-13-5-3-7-15-9-13;/h2,4,6,8,13,15H,3,5,7,9-11H2,1H3;1H
InChIKey
DSVCWEDLSODMLB-UHFFFAOYSA-N
Canonic Smiles
COc1cccc(c1)COCC1CCCNC1.Cl
Isomeric Smiles
N1CC(COCc2cc(OC)ccc2)CCC1.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.3919649
LogD (pH = 7.4)
-0.87701684
Log P
1.8372669
Molar Refractivity
68.9639
Polarizability
27.224762
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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