Molecule

ID:123816

General Information
Structure
MolImage
Molecular Formula
C₇H₁₁Cl₂N₃
Molecular Mass
208.08834
Exact Mass
207.03300273
Charge
0
InChI
InChI=1S/C7H9N3.2ClH/c8-6-3-1-5(2-4-6)7(9)10;;/h1-4H,8H2,(H3,9,10);2*1H
InChIKey
GHEHNICLPWTXJC-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc(cc1)C(=N)N.Cl.Cl
Isomeric Smiles
C(=N)(c1ccc(N)cc1)N.Cl.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
3
LogD (pH = 5.5)
-2.3512337
LogD (pH = 7.4)
-2.349922
Log P
0.064788334
Molar Refractivity
52.4309
Polarizability
15.158364
Polar Surface Area
75.89
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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