N-[(Z)-1,3-benzothiazol-2-ylmethylideneamino]-2-chloroaniline
Formula:C14H10N3ClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-1,3-benzothiazol-2-ylmethylideneamino]-2-chloroaniline is not a drug-like molecule.
| MolName | N-[(Z)-1,3-benzothiazol-2-ylmethylideneamino]-2-chloroaniline |
| MolecularFormula | C14H10N3ClS |
| Smiles | Clc(cccc1)c1N/N=C\c1nc(cccc2)c2s1 |
| InChI | InChI=1S/C14H10ClN3S/c15-10-5-1-2-6-11(10)18-16-9-14-17-12-7-3-4-8-13(12)19-14/h1-9,18H |
| InChIK | ZQXGAADETRFWDT-UHFFFAOYSA-N |
| TotalMolweight | 287.773 |
| Molweight | 287.773 |
| MonoisotopicMass | 287.028394 |
| CLogP | 5.4541 |
| CLogS | -4.149 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 213.96 |
| Relative PSA | 0.25379 |
| PolarSurfaceArea | 65.52 |
| Druglikeness | 3.3865 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.63158 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - N-[(Z)-1,3-benzothiazol-2-ylmethylideneamino]-2-chloroaniline | 2 - N-[(Z)-1,3-benzothiazol-2-ylmethylideneamino]-2-chloroaniline
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