Molecule

ID:47126

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₉Cl₂NO
Molecular Mass
276.20206
Exact Mass
275.08436959
Charge
0
InChI
InChI=1S/C13H18ClNO.ClH/c14-13-4-2-1-3-12(13)10-16-9-11-5-7-15-8-6-11;/h1-4,11,15H,5-10H2;1H
InChIKey
PIRCTCHVVFRTHV-UHFFFAOYSA-N
Canonic Smiles
Clc1ccccc1COCC1CCNCC1.Cl
Isomeric Smiles
c1(c(Cl)cccc1)COCC1CCNCC1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.6739953
LogD (pH = 7.4)
-0.21324067
Log P
2.5574262
Molar Refractivity
67.4043
Polarizability
26.568808
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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