Molecule

ID:12322

General Information
Structure
MolImage
Molecular Formula
C₁₀H₈N₂O₂
Molecular Mass
188.18272
Exact Mass
188.05857751
Charge
0
InChI
InChI=1S/C10H8N2O2/c1-14-10(13)9-3-2-7-6-11-5-4-8(7)12-9/h2-6H,1H3
InChIKey
MYBDMKUTAMPZRT-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1ccc2c(n1)ccnc2
Isomeric Smiles
n1c(ccc2cnccc12)C(=O)OC
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.0851289
LogD (pH = 7.4)
1.1023304
Log P
1.1025553
Molar Refractivity
49.4757
Polarizability
20.471397
Polar Surface Area
52.08
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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