Molecule

ID:48173

General Information
Structure
MolImage
Molecular Formula
C₁₃H₂₀Cl₂N₂
Molecular Mass
275.2173
Exact Mass
274.10035401
Charge
0
InChI
InChI=1S/C13H18N2.2ClH/c1-2-4-13-12(3-1)6-8-15(13)10-11-5-7-14-9-11;;/h1-4,11,14H,5-10H2;2*1H
InChIKey
WCUUIJLBEHAPTI-UHFFFAOYSA-N
Canonic Smiles
C1NCC(C1)CN1CCc2c1cccc2.Cl.Cl
Isomeric Smiles
N1(c2c(CC1)cccc2)CC1CNCC1.Cl.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.4240382
LogD (pH = 7.4)
-1.2910913
Log P
1.8225251
Molar Refractivity
64.0708
Polarizability
24.376001
Polar Surface Area
15.27
Rotatable Bonds
2
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
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References
Bioactivity
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