[(Z)-[amino-(4-amino-3,5-dichlorophenyl)methylidene]amino] thiophene-2-carboxylate
Formula:C12H9N3O2Cl2S
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
[(Z)-[amino-(4-amino-3,5-dichlorophenyl)methylidene]amino] thiophene-2-carboxylate is a drug-like molecule.
| MolName | [(Z)-[amino-(4-amino-3,5-dichlorophenyl)methylidene]amino] thiophene-2-carboxylate |
| MolecularFormula | C12H9N3O2Cl2S |
| Smiles | N/C(/c(cc1Cl)cc(Cl)c1N)=N\OC(c1cccs1)=O |
| InChI | InChI=1S/C12H9Cl2N3O2S/c13-7-4-6(5-8(14)10(7)15)11(16)17-19-12(18)9-2-1-3-20-9/h1-5H,15H2,(H2,16,17) |
| InChIK | KTJIHGYWUPHHRT-UHFFFAOYSA-N |
| TotalMolweight | 330.194 |
| Molweight | 330.194 |
| MonoisotopicMass | 328.979251 |
| CLogP | 3.4734 |
| CLogS | -5.094 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 227.56 |
| Relative PSA | 0.37551 |
| PolarSurfaceArea | 118.94 |
| Druglikeness | -0.059342 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 2 |
| Symmetricatoms | 3 |
| Amines | 1 |
| Aromatic Amines | 1 |
| StereoCon |
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1 - [(Z)-[amino-(4-amino-3,5-dichlorophenyl)methylidene]amino] thiophene-2-carboxylate | 2 - [(Z)-[amino-(4-amino-3,5-dichlorophenyl)methylidene]amino] thiophene-2-carboxylate
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