Molecule

ID:11489

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₀N₄O₃S
Molecular Mass
290.2978
Exact Mass
290.0473612
Charge
0
InChI
InChI=1S/C12H10N4O3S/c17-9(18)5-7-10(19)15-11(13-7)16-12-14-6-3-1-2-4-8(6)20-12/h1-4,7H,5H2,(H,17,18)(H2,13,14,15,16,19)
InChIKey
OOKBFPXIGJABNN-UHFFFAOYSA-N
Canonic Smiles
OC(=O)CC1NC(=NC1=O)Nc1nc2c(s1)cccc2
Isomeric Smiles
N1=C(Nc2nc3c(s2)cccc3)NC(C1=O)CC(=O)O
Calculated Properties
JChem
Acid pKa
2.4122002
H Acceptors
7
H Donor
3
LogD (pH = 5.5)
-2.5795512
LogD (pH = 7.4)
-4.829171
Log P
0.51212895
Molar Refractivity
70.4316
Polarizability
27.766836
Polar Surface Area
103.68
Rotatable Bonds
3
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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