Molecule

ID:77985

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₀N₄
Molecular Mass
198.2239
Exact Mass
198.09054634
Charge
0
InChI
InChI=1S/C11H10N4/c1-15-8-5-4-7-3-2-6-13-9(7)10(8)14-11(15)12/h2-6H,1H3,(H2,12,14)
InChIKey
SGZHQYMPAAWYIT-UHFFFAOYSA-N
Canonic Smiles
Nc1nc2c(n1C)ccc1c2nccc1
Isomeric Smiles
Nc1nc2c(ccc3cccnc23)n1C
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.39744
LogD (pH = 7.4)
1.4947519
Log P
1.4961587
Molar Refractivity
57.9602
Polarizability
24.240164
Polar Surface Area
56.73
Rotatable Bonds
0
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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