Molecule

ID:15316

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₉Cl₂NO
Molecular Mass
276.20206
Exact Mass
275.08436959
Charge
0
InChI
InChI=1S/C13H18ClNO.ClH/c1-10-4-5-12(14)13(7-10)16-9-11-3-2-6-15-8-11;/h4-5,7,11,15H,2-3,6,8-9H2,1H3;1H
InChIKey
PRXFOLVSNVWOEO-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(c(c1)OCC1CCCNC1)Cl.Cl
Isomeric Smiles
c1(ccc(c(c1)OCC1CCCNC1)Cl)C.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.14293091
LogD (pH = 7.4)
0.5146566
Log P
3.0789564
Molar Refractivity
67.2428
Polarizability
26.493446
Polar Surface Area
21.26
Rotatable Bonds
3
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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