Molecule

ID:111404

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₈Cl₂N₂
Molecular Mass
249.18002
Exact Mass
248.08470395
Charge
0
InChI
InChI=1S/C11H16N2.2ClH/c1-10-2-4-11(5-3-10)13-8-6-12-7-9-13;;/h2-5,12H,6-9H2,1H3;2*1H
InChIKey
PMGFOTNCJZITIM-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(cc1)N1CCNCC1.Cl.Cl
Isomeric Smiles
Cl.Cl.Cc1ccc(cc1)N1CCNCC1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.9535505
LogD (pH = 7.4)
0.5546281
Log P
2.0587828
Molar Refractivity
56.2832
Polarizability
21.42385
Polar Surface Area
15.27
Rotatable Bonds
1
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
References
Bioactivity
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