Molecule

ID:48201

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₂Cl₂N₂
Molecular Mass
289.24388
Exact Mass
288.11600407
Charge
0
InChI
InChI=1S/C14H20N2.2ClH/c1-2-7-14-12(5-1)8-10-16(14)11-13-6-3-4-9-15-13;;/h1-2,5,7,13,15H,3-4,6,8-11H2;2*1H
InChIKey
KXRWYWQACVWVFS-UHFFFAOYSA-N
Canonic Smiles
C1CCC(NC1)CN1CCc2c1cccc2.Cl.Cl
Isomeric Smiles
N1(c2c(CC1)cccc2)CC1NCCCC1.Cl.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.528238
LogD (pH = 7.4)
0.42582184
Log P
2.666908
Molar Refractivity
68.3328
Polarizability
26.222279
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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