N-[(Z)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]cyclopropanecarboxamide
Formula:C13H13N3O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]cyclopropanecarboxamide is a drug-like molecule.
| MolName | N-[(Z)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]cyclopropanecarboxamide |
| MolecularFormula | C13H13N3O3 |
| Smiles | [O-][N+](c1c(/C=C/C=N\NC(C2CC2)=O)cccc1)=O |
| InChI | InChI=1S/C13H13N3O3/c17-13(11-7-8-11)15-14-9-3-5-10-4-1-2-6-12(10)16(18)19/h1-6,9,11H,7-8H2,(H,15,17) |
| InChIK | KQNZDRGPDJVGOK-UHFFFAOYSA-N |
| TotalMolweight | 259.264 |
| Molweight | 259.264 |
| MonoisotopicMass | 259.095692 |
| CLogP | 1.1726 |
| CLogS | -3.819 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 203.92 |
| Relative PSA | 0.32577 |
| PolarSurfaceArea | 87.28 |
| Druglikeness | 0.62909 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.63158 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 4 |
| Symmetricatoms | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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