N-[(Z)-(2-chloro-5-nitrophenyl)methylideneamino]-1,3-benzothiazol-2-amine
Formula:C14H9N4O2ClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(2-chloro-5-nitrophenyl)methylideneamino]-1,3-benzothiazol-2-amine is not a drug-like molecule.
| MolName | N-[(Z)-(2-chloro-5-nitrophenyl)methylideneamino]-1,3-benzothiazol-2-amine |
| MolecularFormula | C14H9N4O2ClS |
| Smiles | [O-][N+](c(cc1)cc(/C=N\Nc2nc(cccc3)c3s2)c1Cl)=O |
| InChI | InChI=1S/C14H9ClN4O2S/c15-11-6-5-10(19(20)21)7-9(11)8-16-18-14-17-12-3-1-2-4-13(12)22-14/h1-8H,(H,17,18) |
| InChIK | AHPQWLUNCGQKDB-UHFFFAOYSA-N |
| TotalMolweight | 332.77 |
| Molweight | 332.77 |
| MonoisotopicMass | 332.013473 |
| CLogP | 5.1573 |
| CLogS | -5.312 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 237.63 |
| Relative PSA | 0.35652 |
| PolarSurfaceArea | 111.34 |
| Druglikeness | -2.716 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde |
| Shape Index | 0.59091 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 1 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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