Molecule

ID:24765

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₀N₄
Molecular Mass
186.2132
Exact Mass
186.09054634
Charge
0
InChI
InChI=1S/C10H10N4/c11-12-10-7-6-9(13-14-10)8-4-2-1-3-5-8/h1-7H,11H2,(H,12,14)
InChIKey
ZNGXOKMCRDQBON-UHFFFAOYSA-N
Canonic Smiles
NNc1ccc(nn1)c1ccccc1
Isomeric Smiles
n1nc(NN)ccc1c1ccccc1
Calculated Properties
JChem
Acid pKa
18.502052
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
1.5129423
LogD (pH = 7.4)
1.7900103
Log P
1.7949792
Molar Refractivity
58.5488
Polarizability
22.091373
Polar Surface Area
63.83
Rotatable Bonds
2
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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