(E)-2-cyano-3-(3-nitrophenyl)prop-2-enehydrazide
Formula:C10H8N4O3
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
(E)-2-cyano-3-(3-nitrophenyl)prop-2-enehydrazide is a drug-like molecule.
| MolName | (E)-2-cyano-3-(3-nitrophenyl)prop-2-enehydrazide |
| MolecularFormula | C10H8N4O3 |
| Smiles | NNC(/C(/C#N)=C/c1cccc([N+]([O-])=O)c1)=O |
| InChI | InChI=1S/C10H8N4O3/c11-6-8(10(15)13-12)4-7-2-1-3-9(5-7)14(16)17/h1-5H,12H2,(H,13,15) |
| InChIK | FXUGYGNPELFJOM-UHFFFAOYSA-N |
| TotalMolweight | 232.199 |
| Molweight | 232.199 |
| MonoisotopicMass | 232.059641 |
| CLogP | -0.7576 |
| CLogS | -3.084 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 181.08 |
| Relative PSA | 0.4625 |
| PolarSurfaceArea | 124.73 |
| Druglikeness | -13.633 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | twice activated DB; aromatic nitro; hydrazine |
| Shape Index | 0.58824 |
| Fragments | 1 |
| Non HAtoms | 17 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 3 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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