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N-[5-[2-[(2Z)-2-[(3-nitrophenyl)methylidene]hydrazinyl]-2-oxoethyl]-1,3,4-thiadiazol-2-yl]-2,4-dioxo-1H-pyrimidine-6-carboxamide

Formula:C16H12N8O6S Mutagenic:none Tumorigenic:none Reproductive Effective:none N-[5-[2-[(2Z)-2-[(3-nitrophenyl)methylidene]hydrazinyl]-2-oxoethyl]-1,3,4-thiadiazol-2-yl]-2,4-dioxo-1H-pyrimidine-6-carboxamide is not a drug-like molecule.
MolNameN-[5-[2-[(2Z)-2-[(3-nitrophenyl)methylidene]hydrazinyl]-2-oxoethyl]-1,3,4-thiadiazol-2-yl]-2,4-dioxo-1H-pyrimidine-6-carboxamide
MolecularFormulaC16H12N8O6S
Smiles[O-][N+](c1cccc(/C=N\NC(Cc2nnc(NC(C(NC(N3)=O)=CC3=O)=O)s2)=O)c1)=O
InChIInChI=1S/C16H12N8O6S/c25-11-5-10(18-15(28)19-11)14(27)20-16-23-22-13(31-16)6-12(26)21-17-7-8-2-1-3-9(4-8)24(29)30/h1-5,7H,6H2,(H,21,26)(H,20,23,27)(H2,18,19,25,28)
InChIKNYNOUOOSJWPDRP-UHFFFAOYSA-N
TotalMolweight444.387
Molweight444.387
MonoisotopicMass444.060052
CLogP-0.5245
CLogS-4.219
H Acceptors14
H Donors4
TotalSurfaceArea316.72
Relative PSA0.57537
PolarSurfaceArea228.6
Druglikeness1.4982
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functionsaromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index0.6129
Fragments1
Non HAtoms31
NonCHAtoms15
Electronegative Atoms15
Rotatable Bond7
Rings Closures3
Small Rings3
Aromatic Rings2
Aromatic Atoms11
Sp3Atoms2
Amides3
Aromatic Nitrogens2
AcidicOxygens1
StereoCon

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