Molecule

ID:81539

General Information
Structure
MolImage
Molecular Formula
C₈H₁₀N₄O₄S₂
Molecular Mass
290.3194
Exact Mass
290.01434682
Charge
0
InChI
InChI=1S/C8H10N4O4S2/c13-5-3(9-7(15)11-5)1-17-18-2-4-6(14)12-8(16)10-4/h3-4H,1-2H2,(H2,9,11,13,15)(H2,10,12,14,16)
InChIKey
UIYAHRZHPCKKEF-UHFFFAOYSA-N
Canonic Smiles
O=C1NC(=O)NC1CSSCC1NC(=O)NC1=O
Isomeric Smiles
N1C(=O)NC(C1=O)CSSCC1C(=O)NC(=O)N1
Calculated Properties
JChem
Acid pKa
9.317026
H Acceptors
4
H Donor
4
LogD (pH = 5.5)
-1.9784395
LogD (pH = 7.4)
-1.9835557
Log P
-1.978374
Molar Refractivity
64.9572
Polarizability
25.298225
Polar Surface Area
116.4
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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