Molecule

ID:37554

General Information
Structure
MolImage
Molecular Formula
C₇H₄N₂O₂
Molecular Mass
148.11886
Exact Mass
148.02727738
Charge
0
InChI
InChI=1S/C7H4N2O2/c10-4-5-1-2-6-7(3-5)9-11-8-6/h1-4H
InChIKey
STVDCFOBQWMSHN-UHFFFAOYSA-N
Canonic Smiles
O=Cc1ccc2c(c1)non2
Isomeric Smiles
c1(ccc2c(c1)non2)C=O
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.0357709
LogD (pH = 7.4)
1.0357709
Log P
1.0357709
Molar Refractivity
38.7188
Polarizability
14.876766
Polar Surface Area
55.99
Rotatable Bonds
1
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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