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[2-[(2Z)-2-[(3-nitrophenyl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]methyl N'-[(Z)-(3-nitrophenyl)methylideneamino]carbamimidothioate

Formula:C19H16N8O4S2 Mutagenic:none Tumorigenic:high Reproductive Effective:none [2-[(2Z)-2-[(3-nitrophenyl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]methyl N'-[(Z)-(3-nitrophenyl)methylideneamino]carbamimidothioate is not a drug-like molecule.
MolName[2-[(2Z)-2-[(3-nitrophenyl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]methyl N'-[(Z)-(3-nitrophenyl)methylideneamino]carbamimidothioate
MolecularFormulaC19H16N8O4S2
SmilesN/C(/SCc1csc(N/N=C\c2cc([N+]([O-])=O)ccc2)n1)=N/N=C\c1cc([N+]([O-])=O)ccc1
InChIInChI=1S/C19H16N8O4S2/c20-18(24-21-9-13-3-1-5-16(7-13)26(28)29)32-11-15-12-33-19(23-15)25-22-10-14-4-2-6-17(8-14)27(30)31/h1-10,12H,11H2,(H2,20,24)(H,23,25)
InChIKBPPMPRMEULRXON-UHFFFAOYSA-N
TotalMolweight484.52
Molweight484.52
MonoisotopicMass484.073592
CLogP5.4377
CLogS-7.326
H Acceptors12
H Donors2
TotalSurfaceArea358.54
Relative PSA0.47671
PolarSurfaceArea233.2
Druglikeness-1.2294
Mutagenicnone
Tumorigenichigh
Reproductive Effectivenone
Irritantnone
Nasty Functionsaromatic nitro; dimethylene-hydrazine; imine/hydrazone of aldehyde
Shape Index0.66667
Fragments1
Non HAtoms33
NonCHAtoms14
Electronegative Atoms14
Rotatable Bond10
Rings Closures3
Small Rings3
Aromatic Rings3
Aromatic Atoms17
Sp3Atoms4
Aromatic Nitrogens1
BasicNitrogens1
AcidicOxygens2
StereoCon

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