N'-(benzenesulfonyl)-N-(4-oxocyclohexa-2,5-dien-1-ylidene)benzenecarboximidamide
Formula:C19H14N2O3S
Mutagenic:low
Tumorigenic:low
Reproductive Effective:none
N'-(benzenesulfonyl)-N-(4-oxocyclohexa-2,5-dien-1-ylidene)benzenecarboximidamide is a drug-like molecule.
| MolName | N'-(benzenesulfonyl)-N-(4-oxocyclohexa-2,5-dien-1-ylidene)benzenecarboximidamide |
| MolecularFormula | C19H14N2O3S |
| Smiles | O=C(C=C1)C=CC1=N/C(/c1ccccc1)=N\S(c1ccccc1)(=O)=O |
| InChI | InChI=1S/C19H14N2O3S/c22-17-13-11-16(12-14-17)20-19(15-7-3-1-4-8-15)21-25(23,24)18-9-5-2-6-10-18/h1-14H |
| InChIK | AKIWAZUVARIDDL-UHFFFAOYSA-N |
| TotalMolweight | 350.397 |
| Molweight | 350.397 |
| MonoisotopicMass | 350.072513 |
| CLogP | 2.9139 |
| CLogS | -3.598 |
| H Acceptors | 5 |
| TotalSurfaceArea | 264.79 |
| Relative PSA | 0.24412 |
| PolarSurfaceArea | 84.31 |
| Druglikeness | -8.0997 |
| Mutagenic | low |
| Tumorigenic | low |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.52 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 7 |
| BasicNitrogens | 2 |
| StereoCon |
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