N-[(Z)-(3-bromophenyl)methylideneamino]-3-chloro-1-benzothiophene-2-carboxamide
Formula:C16H10N2OBrClS
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(3-bromophenyl)methylideneamino]-3-chloro-1-benzothiophene-2-carboxamide is not a drug-like molecule.
| MolName | N-[(Z)-(3-bromophenyl)methylideneamino]-3-chloro-1-benzothiophene-2-carboxamide |
| MolecularFormula | C16H10N2OBrClS |
| Smiles | O=C(c(sc1c2cccc1)c2Cl)N/N=C\c1cccc(Br)c1 |
| InChI | InChI=1S/C16H10BrClN2OS/c17-11-5-3-4-10(8-11)9-19-20-16(21)15-14(18)12-6-1-2-7-13(12)22-15/h1-9H,(H,20,21) |
| InChIK | ZTJJTOVCEWCMKJ-UHFFFAOYSA-N |
| TotalMolweight | 393.691 |
| Molweight | 393.691 |
| MonoisotopicMass | 391.938571 |
| CLogP | 5.454 |
| CLogS | -6.64 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 251.58 |
| Relative PSA | 0.22406 |
| PolarSurfaceArea | 69.7 |
| Druglikeness | 3.8113 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde; 3-halo-enone |
| Shape Index | 0.59091 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| StereoCon |
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