Molecule

ID:80711

General Information
Structure
MolImage
Molecular Formula
C₁₁H₈N₂O₂
Molecular Mass
200.19342
Exact Mass
200.05857751
Charge
0
InChI
InChI=1S/C11H8N2O2/c1-8-10(12-7-14)11(15-13-8)9-5-3-2-4-6-9/h2-6H,1H3
InChIKey
ZSAPULDWGBONCI-UHFFFAOYSA-N
Canonic Smiles
O=C=Nc1c(C)noc1c1ccccc1
Isomeric Smiles
o1c(c(c(n1)C)N=C=O)c1ccccc1
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.9459413
LogD (pH = 7.4)
1.9459435
Log P
1.9459435
Molar Refractivity
56.1772
Polarizability
21.341259
Polar Surface Area
55.46
Rotatable Bonds
2
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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