Molecule

ID:67746

General Information
Structure
MolImage
Molecular Formula
C₇H₁₀Cl₂N₂
Molecular Mass
193.0737
Exact Mass
192.02210369
Charge
0
InChI
InChI=1S/C7H8N2.2ClH/c1-2-6-4-8-5-7(6)9-3-1;;/h1-3,8H,4-5H2;2*1H
InChIKey
FZBCVKVGLQRBHY-UHFFFAOYSA-N
Canonic Smiles
c1cnc2c(c1)CNC2.Cl.Cl
Isomeric Smiles
c12c(cccn1)CNC2.Cl.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.3436458
LogD (pH = 7.4)
-0.6094821
Log P
0.1466214
Molar Refractivity
35.1815
Polarizability
13.908452
Polar Surface Area
24.92
Rotatable Bonds
0
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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