Molecule

ID:55449

General Information
Structure
MolImage
Molecular Formula
C₁₂H₂₄Cl₂N₂
Molecular Mass
267.23836
Exact Mass
266.13165414
Charge
0
InChI
InChI=1S/C12H22N2.2ClH/c13-7-11-2-9-1-10(4-11)5-12(3-9,6-11)8-14;;/h9-10H,1-8,13-14H2;2*1H
InChIKey
WURFXMPEVBIVTB-UHFFFAOYSA-N
Canonic Smiles
NCC12CC3CC(C1)CC(C2)(C3)CN.Cl.Cl
Isomeric Smiles
C1C2(CC3CC1CC(C2)(C3)CN)CN.Cl.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-5.317189
LogD (pH = 7.4)
-4.072123
Log P
0.7128249
Molar Refractivity
58.0106
Polarizability
23.718283
Polar Surface Area
52.04
Rotatable Bonds
2
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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