Molecule

ID:48028

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₂Cl₂N₂
Molecular Mass
289.24388
Exact Mass
288.11600407
Charge
0
InChI
InChI=1S/C14H20N2.2ClH/c1-2-4-13-11-16(10-7-12(13)3-1)14-5-8-15-9-6-14;;/h1-4,14-15H,5-11H2;2*1H
InChIKey
VYFNNHPULPCQLH-UHFFFAOYSA-N
Canonic Smiles
N1CCC(CC1)N1CCc2c(C1)cccc2.Cl.Cl
Isomeric Smiles
N1(Cc2c(CC1)cccc2)C1CCNCC1.Cl.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.9384882
LogD (pH = 7.4)
-1.1938434
Log P
1.5982893
Molar Refractivity
68.0667
Polarizability
26.621523
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
References
Bioactivity
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