1,3-bis[(Z)-(2-nitrophenyl)methylideneamino]thiourea
Formula:C15H12N6O4S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
1,3-bis[(Z)-(2-nitrophenyl)methylideneamino]thiourea is a drug-like molecule.
| MolName | 1,3-bis[(Z)-(2-nitrophenyl)methylideneamino]thiourea |
| MolecularFormula | C15H12N6O4S |
| Smiles | [O-][N+](c1c(/C=N\NC(N/N=C\c(cccc2)c2[N+]([O-])=O)=S)cccc1)=O |
| InChI | InChI=1S/C15H12N6O4S/c22-20(23)13-7-3-1-5-11(13)9-16-18-15(26)19-17-10-12-6-2-4-8-14(12)21(24)25/h1-10H,(H2,18,19,26) |
| InChIK | MSEWEKWTCRFOSN-UHFFFAOYSA-N |
| TotalMolweight | 372.364 |
| Molweight | 372.364 |
| MonoisotopicMass | 372.064074 |
| CLogP | 2.1435 |
| CLogS | -5.834 |
| H Acceptors | 10 |
| H Donors | 2 |
| TotalSurfaceArea | 285.51 |
| Relative PSA | 0.47207 |
| PolarSurfaceArea | 172.51 |
| Druglikeness | -3.2252 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde; thio-amide/urea |
| Shape Index | 0.57692 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 12 |
| AcidicOxygens | 2 |
| StereoCon |
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1 - 1,3-bis[(Z)-(2-nitrophenyl)methylideneamino]thiourea | 2 - 1,3-bis[(Z)-(2-nitrophenyl)methylideneamino]thiourea
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