4-nitro-2-[(Z)-(5-oxo-2-sulfanylideneimidazolidin-4-ylidene)methyl]phenolate
Formula:C10H6N3O4S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
4-nitro-2-[(Z)-(5-oxo-2-sulfanylideneimidazolidin-4-ylidene)methyl]phenolate is a drug-like molecule.
| MolName | 4-nitro-2-[(Z)-(5-oxo-2-sulfanylideneimidazolidin-4-ylidene)methyl]phenolate |
| MolecularFormula | C10H6N3O4S |
| Smiles | [O-]c(cc1)c(/C=C(/C(N2)=O)\NC2=S)cc1[N+]([O-])=O |
| InChI | InChI=1S/C10H7N3O4S/c14-8-2-1-6(13(16)17)3-5(8)4-7-9(15)12-10(18)11-7/h1-4,14H,(H2,11,12,15,18)/p-1 |
| InChIK | QYOAAZHZUKLPFB-UHFFFAOYSA-M |
| TotalMolweight | 264.241 |
| Molweight | 264.241 |
| MonoisotopicMass | 264.007902 |
| CLogP | -1.6165 |
| CLogS | -2.984 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 189.05 |
| Relative PSA | 0.57477 |
| PolarSurfaceArea | 142.1 |
| Druglikeness | -2.9129 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | aromatic nitro; thio-amide/urea |
| Shape Index | 0.55556 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 2 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 3 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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