Molecule

ID:15853

General Information
Structure
MolImage
Molecular Formula
C₁₂H₂₀Cl₂N₂
Molecular Mass
263.2066
Exact Mass
262.10035401
Charge
0
InChI
InChI=1S/C12H18N2.2ClH/c1-10-3-5-12(6-4-10)14-8-7-13-11(2)9-14;;/h3-6,11,13H,7-9H2,1-2H3;2*1H
InChIKey
PFPDFAIBCQXSFW-UHFFFAOYSA-N
Canonic Smiles
CC1NCCN(C1)c1ccc(cc1)C.Cl.Cl
Isomeric Smiles
N1C(CN(CC1)c1ccc(cc1)C)C.Cl.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.570605
LogD (pH = 7.4)
0.88837236
Log P
2.4753578
Molar Refractivity
60.702
Polarizability
23.270393
Polar Surface Area
15.27
Rotatable Bonds
1
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
No Data Available
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Molecule Details
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References
Bioactivity
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