Molecule

ID:76141

General Information
Structure
Molecular Formula
C₇H₁₂Cl₂N₂
Molecular Mass
195.08958
Exact Mass
194.03775375
Charge
0
InChI
InChI=1S/C7H10N2.2ClH/c1-8-6-7-2-4-9-5-3-7;;/h2-5,8H,6H2,1H3;2*1H
InChIKey
OAQFZPRZKPZRJM-UHFFFAOYSA-N
Canonic Smiles
CNCc1ccncc1.Cl.Cl
Isomeric Smiles
n1ccc(cc1)CNC.Cl.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.8293426
LogD (pH = 7.4)
-1.6012797
Log P
0.31392223
Molar Refractivity
37.1491
Polarizability
14.6500225
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
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Molecule Details
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References
Bioactivity
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