Molecule

ID:48060

General Information
Structure
Molecular Formula
C₁₃H₂₂Cl₂N₂
Molecular Mass
277.23318
Exact Mass
276.11600407
Charge
0
InChI
InChI=1S/C13H20N2.2ClH/c1-2-15(13-8-9-14-10-13)11-12-6-4-3-5-7-12;;/h3-7,13-14H,2,8-11H2,1H3;2*1H
InChIKey
GKVGUAUOVWFIBZ-UHFFFAOYSA-N
Canonic Smiles
CCN(C1CNCC1)Cc1ccccc1.Cl.Cl
Isomeric Smiles
N(Cc1ccccc1)(C1CCNC1)CC.Cl.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.603949
LogD (pH = 7.4)
-1.2292652
Log P
1.855249
Molar Refractivity
64.6403
Polarizability
25.60032
Polar Surface Area
15.27
Rotatable Bonds
4
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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