Molecule
ID:121211
General Information
Molecular Formula
C₁₀H₅N₃O₃
Molecular Mass
215.165
Exact Mass
215.03309104
Charge
0
InChI
InChI=1S/C10H5N3O3/c14-8-4-5-9(15)13(8)7-3-1-2-6-10(7)12-16-11-6/h1-5H
InChIKey
FRURTJCPHXUZJH-UHFFFAOYSA-N
Canonic Smiles
O=C1C=CC(=O)N1c1cccc2c1non2
Isomeric Smiles
N1(c2c3c(non3)ccc2)C(=O)C=CC1=O
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
0.5957537
LogD (pH = 7.4)
0.59575427
Log P
0.59575427
Molar Refractivity
54.1025
Polarizability
20.682074
Polar Surface Area
76.3
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
No Data Available
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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