Molecule

ID:76320

General Information
Structure
Molecular Formula
C₁₁H₁₈Cl₂N₂
Molecular Mass
249.18002
Exact Mass
248.08470395
Charge
0
InChI
InChI=1S/C11H16N2.2ClH/c1-5-12-6-2-10(1)9-11-3-7-13-8-4-11;;/h1-2,5-6,11,13H,3-4,7-9H2;2*1H
InChIKey
QMJFVPHRYVOBJG-UHFFFAOYSA-N
Canonic Smiles
N1CCC(CC1)Cc1ccncc1.Cl.Cl
Isomeric Smiles
N1CCC(Cc2ccncc2)CC1.Cl.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.2686555
LogD (pH = 7.4)
-1.476979
Log P
1.305207
Molar Refractivity
53.9231
Polarizability
21.218624
Polar Surface Area
24.92
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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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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