Molecule

ID:46977

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₉Cl₂NO
Molecular Mass
276.20206
Exact Mass
275.08436959
Charge
0
InChI
InChI=1S/C13H18ClNO.ClH/c1-2-10-3-4-13(12(14)9-10)16-11-5-7-15-8-6-11;/h3-4,9,11,15H,2,5-8H2,1H3;1H
InChIKey
XJPZTDGZSSJMRM-UHFFFAOYSA-N
Canonic Smiles
CCc1ccc(c(c1)Cl)OC1CCNCC1.Cl
Isomeric Smiles
c1(c(cc(cc1)CC)Cl)OC1CCNCC1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.18603118
LogD (pH = 7.4)
0.658288
Log P
3.0213675
Molar Refractivity
67.1246
Polarizability
26.49537
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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