Molecule

ID:46548

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₉Cl₂NO
Molecular Mass
276.20206
Exact Mass
275.08436959
Charge
0
InChI
InChI=1S/C13H18ClNO.ClH/c14-12-4-1-5-13(9-12)16-8-6-11-3-2-7-15-10-11;/h1,4-5,9,11,15H,2-3,6-8,10H2;1H
InChIKey
GPONDVWPSKBQIP-UHFFFAOYSA-N
Canonic Smiles
Clc1cccc(c1)OCCC1CCCNC1.Cl
Isomeric Smiles
N1CC(CCOc2cc(Cl)ccc2)CCC1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.26577532
LogD (pH = 7.4)
0.110274754
Log P
2.9685469
Molar Refractivity
66.9014
Polarizability
26.55624
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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