Molecule

ID:71898

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₀N₄O₃S
Molecular Mass
266.2764
Exact Mass
266.0473612
Charge
0
InChI
InChI=1S/C10H10N4O3S/c11-14-9(12-13-10(14)18)4-15-6-1-2-7-8(3-6)17-5-16-7/h1-3H,4-5,11H2,(H,13,18)
InChIKey
BYHZJNRZNWZUOA-UHFFFAOYSA-N
Canonic Smiles
Nn1c(COc2ccc3c(c2)OCO3)nnc1S
Isomeric Smiles
n1(c(nnc1COc1cc2c(cc1)OCO2)S)N
Calculated Properties
JChem
Acid pKa
7.015266
H Acceptors
6
H Donor
2
LogD (pH = 5.5)
-0.04321496
LogD (pH = 7.4)
-0.5275137
Log P
-0.030615922
Molar Refractivity
68.7766
Polarizability
25.140688
Polar Surface Area
84.42
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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