4-(4-nitrophenyl)-N-[(Z)-(2-nitrophenyl)methylideneamino]-1,3-thiazol-2-amine
Formula:C16H11N5O4S
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
4-(4-nitrophenyl)-N-[(Z)-(2-nitrophenyl)methylideneamino]-1,3-thiazol-2-amine is a drug-like molecule.
| MolName | 4-(4-nitrophenyl)-N-[(Z)-(2-nitrophenyl)methylideneamino]-1,3-thiazol-2-amine |
| MolecularFormula | C16H11N5O4S |
| Smiles | [O-][N+](c(cc1)ccc1-c1csc(N/N=C\c(cccc2)c2[N+]([O-])=O)n1)=O |
| InChI | InChI=1S/C16H11N5O4S/c22-20(23)13-7-5-11(6-8-13)14-10-26-16(18-14)19-17-9-12-3-1-2-4-15(12)21(24)25/h1-10H,(H,18,19) |
| InChIK | HOGVESQWBGOGNH-UHFFFAOYSA-N |
| TotalMolweight | 369.36 |
| Molweight | 369.36 |
| MonoisotopicMass | 369.053175 |
| CLogP | 4.2028 |
| CLogS | -5.58 |
| H Acceptors | 9 |
| H Donors | 1 |
| TotalSurfaceArea | 271.04 |
| Relative PSA | 0.42481 |
| PolarSurfaceArea | 157.16 |
| Druglikeness | -1.2848 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde |
| Shape Index | 0.61538 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| AcidicOxygens | 2 |
| StereoCon |
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1 - 4-(4-nitrophenyl)-N-[(Z)-(2-nitrophenyl)methylideneamino]-1,3-thiazol-2-amine | 2 - 4-(4-nitrophenyl)-N-[(Z)-(2-nitrophenyl)methylideneamino]-1,3-thiazol-2-amine
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