Molecule

ID:58559

General Information
Structure
MolImage
Molecular Formula
C₁₀H₇N₃O₂
Molecular Mass
201.18148
Exact Mass
201.05382648
Charge
0
InChI
InChI=1S/C10H7N3O2/c14-9-7-5-3-1-2-4-6(5)11-8(7)12-10(15)13-9/h1-4H,(H3,11,12,13,14,15)
InChIKey
SDJWQYSENOMSPV-UHFFFAOYSA-N
Canonic Smiles
O=c1[nH]c(=O)c2c([nH]1)[nH]c1c2cccc1
Isomeric Smiles
c1ccc2c(c1)[nH]c1c2c(=O)[nH]c(=O)[nH]1
Calculated Properties
JChem
Acid pKa
10.571106
H Acceptors
2
H Donor
3
LogD (pH = 5.5)
1.5849969
LogD (pH = 7.4)
1.5847113
Log P
1.5850006
Molar Refractivity
54.1159
Polarizability
20.686012
Polar Surface Area
73.99
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
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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