Molecule

ID:90913

General Information
Structure
MolImage
Molecular Formula
C₁₂H₂₀Cl₂N₂
Molecular Mass
263.2066
Exact Mass
262.10035401
Charge
0
InChI
InChI=1S/C12H18N2.2ClH/c1-2-4-11(5-3-1)10-14-12-6-8-13-9-7-12;;/h1-5,12-14H,6-10H2;2*1H
InChIKey
LGKHZJDIZSRNCQ-UHFFFAOYSA-N
Canonic Smiles
N1CCC(CC1)NCc1ccccc1.Cl.Cl
Isomeric Smiles
N1CCC(NCc2ccccc2)CC1.Cl.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-4.444938
LogD (pH = 7.4)
-2.3057964
Log P
1.1753528
Molar Refractivity
59.4624
Polarizability
23.753363
Polar Surface Area
24.06
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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