N-[(Z)-(4-chlorodithiazol-5-ylidene)amino]benzamide
Formula:C9H6N3OClS2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(4-chlorodithiazol-5-ylidene)amino]benzamide is a drug-like molecule.
| MolName | N-[(Z)-(4-chlorodithiazol-5-ylidene)amino]benzamide |
| MolecularFormula | C9H6N3OClS2 |
| Smiles | O=C(c1ccccc1)N/N=C1\SSN=C1Cl |
| InChI | InChI=1S/C9H6ClN3OS2/c10-7-9(15-16-13-7)12-11-8(14)6-4-2-1-3-5-6/h1-5H,(H,11,14) |
| InChIK | MZFWDRIJZJWQRM-UHFFFAOYSA-N |
| TotalMolweight | 271.752 |
| Molweight | 271.752 |
| MonoisotopicMass | 270.964079 |
| CLogP | 1.7263 |
| CLogS | -2.901 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 185.31 |
| Relative PSA | 0.4452 |
| PolarSurfaceArea | 104.42 |
| Druglikeness | 3.6063 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-halogenide type; acyl-hydrazone |
| Shape Index | 0.625 |
| Fragments | 1 |
| Non HAtoms | 16 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 2 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| StereoCon |
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