Molecule

ID:55317

General Information
Structure
MolImage
Molecular Formula
C₁₂H₂₀Cl₂N₂O
Molecular Mass
279.206
Exact Mass
278.09526863
Charge
0
InChI
InChI=1S/C12H18N2O.2ClH/c15-10-11-4-3-7-14(8-11)9-12-5-1-2-6-13-12;;/h1-2,5-6,11,15H,3-4,7-10H2;2*1H
InChIKey
VSJLVLCGLVYPPL-UHFFFAOYSA-N
Canonic Smiles
OCC1CCCN(C1)Cc1ccccn1.Cl.Cl
Isomeric Smiles
N1(CC(CO)CCC1)Cc1ncccc1.Cl.Cl
Calculated Properties
JChem
Acid pKa
15.431445
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.6508743
LogD (pH = 7.4)
0.07280357
Log P
0.5986591
Molar Refractivity
60.3651
Polarizability
23.736206
Polar Surface Area
36.36
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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