[(E)-[1-amino-3-(4-chlorophenyl)sulfonylpropylidene]amino] 4-chlorobenzoate
Formula:C16H14N2O4Cl2S
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
[(E)-[1-amino-3-(4-chlorophenyl)sulfonylpropylidene]amino] 4-chlorobenzoate is a drug-like molecule.
| MolName | [(E)-[1-amino-3-(4-chlorophenyl)sulfonylpropylidene]amino] 4-chlorobenzoate |
| MolecularFormula | C16H14N2O4Cl2S |
| Smiles | N/C(/CCS(c(cc1)ccc1Cl)(=O)=O)=N/OC(c(cc1)ccc1Cl)=O |
| InChI | InChI=1S/C16H14Cl2N2O4S/c17-12-3-1-11(2-4-12)16(21)24-20-15(19)9-10-25(22,23)14-7-5-13(18)6-8-14/h1-8H,9-10H2,(H2,19,20) |
| InChIK | DFOCBHKGYUJQFB-UHFFFAOYSA-N |
| TotalMolweight | 401.269 |
| Molweight | 401.269 |
| MonoisotopicMass | 400.005132 |
| CLogP | 3.4761 |
| CLogS | -5.389 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 279.2 |
| Relative PSA | 0.2808 |
| PolarSurfaceArea | 107.2 |
| Druglikeness | -4.152 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.68 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 7 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| Symmetricatoms | 5 |
| StereoCon |
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1 - [(E)-[1-amino-3-(4-chlorophenyl)sulfonylpropylidene]amino] 4-chlorobenzoate | 2 - [(E)-[1-amino-3-(4-chlorophenyl)sulfonylpropylidene]amino] 4-chlorobenzoate
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