N'-[(E)-3-(4-nitrophenyl)prop-2-enoyl]cyclopropanecarbohydrazide
Formula:C13H13N3O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N'-[(E)-3-(4-nitrophenyl)prop-2-enoyl]cyclopropanecarbohydrazide is a drug-like molecule.
| MolName | N'-[(E)-3-(4-nitrophenyl)prop-2-enoyl]cyclopropanecarbohydrazide |
| MolecularFormula | C13H13N3O4 |
| Smiles | [O-][N+](c1ccc(/C=C/C(NNC(C2CC2)=O)=O)cc1)=O |
| InChI | InChI=1S/C13H13N3O4/c17-12(14-15-13(18)10-4-5-10)8-3-9-1-6-11(7-2-9)16(19)20/h1-3,6-8,10H,4-5H2,(H,14,17)(H,15,18) |
| InChIK | TVPGMXPXAVIZLZ-UHFFFAOYSA-N |
| TotalMolweight | 275.263 |
| Molweight | 275.263 |
| MonoisotopicMass | 275.090607 |
| CLogP | -0.1005 |
| CLogS | -3.486 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 208.37 |
| Relative PSA | 0.38115 |
| PolarSurfaceArea | 104.02 |
| Druglikeness | -2.8839 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.7 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 4 |
| Symmetricatoms | 3 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - N'-[(E)-3-(4-nitrophenyl)prop-2-enoyl]cyclopropanecarbohydrazide | 2 - N'-[(E)-3-(4-nitrophenyl)prop-2-enoyl]cyclopropanecarbohydrazide
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