N-[(Z)-(4-nitrophenyl)methylideneamino]-1,3-benzothiazol-2-amine
Formula:C14H10N4O2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(4-nitrophenyl)methylideneamino]-1,3-benzothiazol-2-amine is a drug-like molecule.
| MolName | N-[(Z)-(4-nitrophenyl)methylideneamino]-1,3-benzothiazol-2-amine |
| MolecularFormula | C14H10N4O2S |
| Smiles | [O-][N+](c1ccc(/C=N\Nc2nc(cccc3)c3s2)cc1)=O |
| InChI | InChI=1S/C14H10N4O2S/c19-18(20)11-7-5-10(6-8-11)9-15-17-14-16-12-3-1-2-4-13(12)21-14/h1-9H,(H,16,17) |
| InChIK | WVQRTTNMKYRIPJ-UHFFFAOYSA-N |
| TotalMolweight | 298.325 |
| Molweight | 298.325 |
| MonoisotopicMass | 298.052446 |
| CLogP | 4.5513 |
| CLogS | -4.576 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 222.21 |
| Relative PSA | 0.38126 |
| PolarSurfaceArea | 111.34 |
| Druglikeness | -2.7577 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - N-[(Z)-(4-nitrophenyl)methylideneamino]-1,3-benzothiazol-2-amine | 2 - N-[(Z)-(4-nitrophenyl)methylideneamino]-1,3-benzothiazol-2-amine
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