Molecule

ID:48030

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₂Cl₂N₂
Molecular Mass
289.24388
Exact Mass
288.11600407
Charge
0
InChI
InChI=1S/C14H20N2.2ClH/c1-2-6-14-12(4-1)5-3-11-16(14)13-7-9-15-10-8-13;;/h1-2,4,6,13,15H,3,5,7-11H2;2*1H
InChIKey
OLHTYTPPIKJKAM-UHFFFAOYSA-N
Canonic Smiles
N1CCC(CC1)N1CCCc2c1cccc2.Cl.Cl
Isomeric Smiles
N1(c2c(CCC1)cccc2)C1CCNCC1.Cl.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.0260311
LogD (pH = 7.4)
-0.28558752
Log P
2.209505
Molar Refractivity
68.5536
Polarizability
26.222986
Polar Surface Area
15.27
Rotatable Bonds
1
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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