Molecule

ID:15317

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₉Cl₂NO
Molecular Mass
276.20206
Exact Mass
275.08436959
Charge
0
InChI
InChI=1S/C13H18ClNO.ClH/c1-10-2-3-12(14)13(8-10)16-9-11-4-6-15-7-5-11;/h2-3,8,11,15H,4-7,9H2,1H3;1H
InChIKey
HSEXNDRDFODYGT-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(cc1OCC1CCNCC1)C.Cl
Isomeric Smiles
c1(ccc(c(c1)OCC1CCNCC1)Cl)C.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.19402131
LogD (pH = 7.4)
0.26674947
Log P
3.0373995
Molar Refractivity
67.3416
Polarizability
26.493448
Polar Surface Area
21.26
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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