Molecule

ID:121939

General Information
Structure
MolImage
Molecular Formula
C₁₀H₈N₂O
Molecular Mass
172.18332
Exact Mass
172.06366289
Charge
0
InChI
InChI=1S/C10H8N2O/c1-2-12-7-11-9-6-4-3-5-8(9)10(12)13/h2-7H,1H2
InChIKey
OVFSZBJQQPPLIB-UHFFFAOYSA-N
Canonic Smiles
C=Cn1cnc2c(c1=O)cccc2
Isomeric Smiles
c1(=O)n(cnc2c1cccc2)C=C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.4525543
LogD (pH = 7.4)
1.4530854
Log P
1.4530922
Molar Refractivity
51.4883
Polarizability
18.418127
Polar Surface Area
32.67
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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