Molecule

ID:55313

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₉Cl₂N
Molecular Mass
260.20266
Exact Mass
259.08945497
Charge
0
InChI
InChI=1S/C13H18ClN.ClH/c14-9-13-7-4-8-15(11-13)10-12-5-2-1-3-6-12;/h1-3,5-6,13H,4,7-11H2;1H
InChIKey
GTJKOLOEDSFOPH-UHFFFAOYSA-N
Canonic Smiles
ClCC1CCCN(C1)Cc1ccccc1.Cl
Isomeric Smiles
N1(CC(CCl)CCC1)Cc1ccccc1.Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
-0.09261779
LogD (pH = 7.4)
1.5175349
Log P
3.0894516
Molar Refractivity
66.0952
Polarizability
25.837242
Polar Surface Area
3.24
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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