[(E)-[1-amino-3-(4-chlorophenyl)sulfanylpropylidene]amino] 4-chlorobenzoate
Formula:C16H14N2O2Cl2S
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
[(E)-[1-amino-3-(4-chlorophenyl)sulfanylpropylidene]amino] 4-chlorobenzoate is a drug-like molecule.
| MolName | [(E)-[1-amino-3-(4-chlorophenyl)sulfanylpropylidene]amino] 4-chlorobenzoate |
| MolecularFormula | C16H14N2O2Cl2S |
| Smiles | N/C(/CCSc(cc1)ccc1Cl)=N/OC(c(cc1)ccc1Cl)=O |
| InChI | InChI=1S/C16H14Cl2N2O2S/c17-12-3-1-11(2-4-12)16(21)22-20-15(19)9-10-23-14-7-5-13(18)6-8-14/h1-8H,9-10H2,(H2,19,20) |
| InChIK | VDNINFWNQUQRJF-UHFFFAOYSA-N |
| TotalMolweight | 369.271 |
| Molweight | 369.271 |
| MonoisotopicMass | 368.015302 |
| CLogP | 4.9513 |
| CLogS | -5.82 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 268.11 |
| Relative PSA | 0.25105 |
| PolarSurfaceArea | 89.98 |
| Druglikeness | -3.394 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.73913 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 7 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| Symmetricatoms | 4 |
| StereoCon |
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1 - [(E)-[1-amino-3-(4-chlorophenyl)sulfanylpropylidene]amino] 4-chlorobenzoate | 2 - [(E)-[1-amino-3-(4-chlorophenyl)sulfanylpropylidene]amino] 4-chlorobenzoate
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