Molecule

ID:34136

General Information
Structure
MolImage
Molecular Formula
C₁₃H₂₀Cl₂N₂
Molecular Mass
275.2173
Exact Mass
274.10035401
Charge
0
InChI
InChI=1S/C13H18N2.2ClH/c14-9-10-7-11-3-1-5-15-6-2-4-12(8-10)13(11)15;;/h7-8H,1-6,9,14H2;2*1H
InChIKey
TZZMSZGLZXBFHY-UHFFFAOYSA-N
Canonic Smiles
NCc1cc2CCCN3c2c(c1)CCC3.Cl.Cl
Isomeric Smiles
c12CCCN3c1c(CCC3)cc(c2)CN.Cl.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.89041173
LogD (pH = 7.4)
-0.040805735
Log P
2.1759725
Molar Refractivity
64.7812
Polarizability
24.290852
Polar Surface Area
29.26
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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