Molecule

ID:77873

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₀N₄
Molecular Mass
198.2239
Exact Mass
198.09054634
Charge
0
InChI
InChI=1S/C11H10N4/c1-15-9-6-7-4-2-3-5-8(7)13-10(9)14-11(15)12/h2-6H,1H3,(H2,12,13,14)
InChIKey
NWZPKLJMJMZZEO-UHFFFAOYSA-N
Canonic Smiles
Cn1c(N)nc2c1cc1ccccc1n2
Isomeric Smiles
n1c(n(c2cc3c(nc12)cccc3)C)N
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.5323538
LogD (pH = 7.4)
1.8158184
Log P
1.8211633
Molar Refractivity
59.533
Polarizability
23.535892
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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