[4-[[(Z)-(2-oxocyclohexylidene)methyl]amino]phenyl]sulfonylurea
Formula:C14H17N3O4S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
[4-[[(Z)-(2-oxocyclohexylidene)methyl]amino]phenyl]sulfonylurea is a drug-like molecule.
| MolName | [4-[[(Z)-(2-oxocyclohexylidene)methyl]amino]phenyl]sulfonylurea |
| MolecularFormula | C14H17N3O4S |
| Smiles | NC(NS(c(cc1)ccc1N/C=C(/CCCC1)\C1=O)(=O)=O)=O |
| InChI | InChI=1S/C14H17N3O4S/c15-14(19)17-22(20,21)12-7-5-11(6-8-12)16-9-10-3-1-2-4-13(10)18/h5-9,16H,1-4H2,(H3,15,17,19) |
| InChIK | PNUAOGITRLTYBH-UHFFFAOYSA-N |
| TotalMolweight | 323.372 |
| Molweight | 323.372 |
| MonoisotopicMass | 323.093977 |
| CLogP | 0.8211 |
| CLogS | -3.24 |
| H Acceptors | 7 |
| H Donors | 3 |
| TotalSurfaceArea | 235.03 |
| Relative PSA | 0.39506 |
| PolarSurfaceArea | 126.74 |
| Druglikeness | -2.7555 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | low |
| Nasty Functions | |
| Shape Index | 0.63636 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 5 |
| Symmetricatoms | 3 |
| Amides | 2 |
| StereoCon |
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1 - [4-[[(Z)-(2-oxocyclohexylidene)methyl]amino]phenyl]sulfonylurea | 2 - [4-[[(Z)-(2-oxocyclohexylidene)methyl]amino]phenyl]sulfonylurea
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