[(Z)-[4-(2-hydroxyethylsulfanyl)-3-nitrophenyl]methylideneamino]urea
Formula:C10H12N4O4S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[(Z)-[4-(2-hydroxyethylsulfanyl)-3-nitrophenyl]methylideneamino]urea is a drug-like molecule.
| MolName | [(Z)-[4-(2-hydroxyethylsulfanyl)-3-nitrophenyl]methylideneamino]urea |
| MolecularFormula | C10H12N4O4S |
| Smiles | NC(N/N=C\c(cc1)cc([N+]([O-])=O)c1SCCO)=O |
| InChI | InChI=1S/C10H12N4O4S/c11-10(16)13-12-6-7-1-2-9(19-4-3-15)8(5-7)14(17)18/h1-2,5-6,15H,3-4H2,(H3,11,13,16) |
| InChIK | WKHMESKRGFSEEL-UHFFFAOYSA-N |
| TotalMolweight | 284.295 |
| Molweight | 284.295 |
| MonoisotopicMass | 284.057926 |
| CLogP | 0.2612 |
| CLogS | -3.847 |
| H Acceptors | 8 |
| H Donors | 3 |
| TotalSurfaceArea | 210.78 |
| Relative PSA | 0.53274 |
| PolarSurfaceArea | 158.83 |
| Druglikeness | -0.67251 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde |
| Shape Index | 0.68421 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 6 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 5 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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