Molecule

ID:11170

General Information
Structure
MolImage
Molecular Formula
C₁₂H₂₀Cl₂N₂
Molecular Mass
263.2066
Exact Mass
262.10035401
Charge
0
InChI
InChI=1S/C12H18N2.2ClH/c1-11-3-2-4-12(9-11)10-14-7-5-13-6-8-14;;/h2-4,9,13H,5-8,10H2,1H3;2*1H
InChIKey
PCGNLSMZOLZUAD-UHFFFAOYSA-N
Canonic Smiles
Cc1cccc(c1)CN1CCNCC1.Cl.Cl
Isomeric Smiles
N1(Cc2cc(ccc2)C)CCNCC1.Cl.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.3949748
LogD (pH = 7.4)
-0.040217288
Log P
1.8921356
Molar Refractivity
60.3973
Polarizability
23.672037
Polar Surface Area
15.27
Rotatable Bonds
2
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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