Molecule

ID:91015

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₀N₄O
Molecular Mass
214.2233
Exact Mass
214.08546096
Charge
0
InChI
InChI=1S/C11H10N4O/c1-9-11(12-8-16)13-14-15(9)7-10-5-3-2-4-6-10/h2-6H,7H2,1H3
InChIKey
MAWFWGAPDVSDSP-UHFFFAOYSA-N
Canonic Smiles
O=C=Nc1nnn(c1C)Cc1ccccc1
Isomeric Smiles
n1nc(c(n1Cc1ccccc1)C)N=C=O
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
2.4482775
LogD (pH = 7.4)
2.4482777
Log P
2.4482777
Molar Refractivity
72.4662
Polarizability
21.716646
Polar Surface Area
60.14
Rotatable Bonds
3
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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