[(E)-[amino-[4-(thiadiazol-4-yl)phenyl]methylidene]amino] 4-chlorobenzoate
Formula:C16H11N4O2ClS
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
[(E)-[amino-[4-(thiadiazol-4-yl)phenyl]methylidene]amino] 4-chlorobenzoate is a drug-like molecule.
| MolName | [(E)-[amino-[4-(thiadiazol-4-yl)phenyl]methylidene]amino] 4-chlorobenzoate |
| MolecularFormula | C16H11N4O2ClS |
| Smiles | N/C(/c(cc1)ccc1-c1csnn1)=N/OC(c(cc1)ccc1Cl)=O |
| InChI | InChI=1S/C16H11ClN4O2S/c17-13-7-5-12(6-8-13)16(22)23-20-15(18)11-3-1-10(2-4-11)14-9-24-21-19-14/h1-9H,(H2,18,20) |
| InChIK | IRZMPFFDEPTRAY-UHFFFAOYSA-N |
| TotalMolweight | 358.808 |
| Molweight | 358.808 |
| MonoisotopicMass | 358.029123 |
| CLogP | 4.3591 |
| CLogS | -5.687 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 260.9 |
| Relative PSA | 0.35309 |
| PolarSurfaceArea | 118.7 |
| Druglikeness | -5.7888 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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1 - [(E)-[amino-[4-(thiadiazol-4-yl)phenyl]methylidene]amino] 4-chlorobenzoate | 2 - [(E)-[amino-[4-(thiadiazol-4-yl)phenyl]methylidene]amino] 4-chlorobenzoate
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