Molecule

ID:48002

General Information
Structure
MolImage
Molecular Formula
C₁₃H₂₀Cl₂N₂
Molecular Mass
275.2173
Exact Mass
274.10035401
Charge
0
InChI
InChI=1S/C13H18N2.2ClH/c1-2-6-13-11(4-1)7-9-15(13)12-5-3-8-14-10-12;;/h1-2,4,6,12,14H,3,5,7-10H2;2*1H
InChIKey
BQFPALLVJRSJOA-UHFFFAOYSA-N
Canonic Smiles
C1CCC(CN1)N1CCc2c1cccc2.Cl.Cl
Isomeric Smiles
N1(c2c(CC1)cccc2)C1CNCCC1.Cl.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.962258
LogD (pH = 7.4)
0.06559945
Log P
2.2223394
Molar Refractivity
63.7318
Polarizability
24.375803
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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