N-[(E)-2-bicyclo[2.2.1]heptanylideneamino]-4-nitrobenzamide
Formula:C14H15N3O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(E)-2-bicyclo[2.2.1]heptanylideneamino]-4-nitrobenzamide is a drug-like molecule.
| MolName | N-[(E)-2-bicyclo[2.2.1]heptanylideneamino]-4-nitrobenzamide |
| MolecularFormula | C14H15N3O3 |
| Smiles | [O-][N+](c(cc1)ccc1C(N/N=C1/C(CC2)CC2C1)=O)=O |
| InChI | InChI=1S/C14H15N3O3/c18-14(10-3-5-12(6-4-10)17(19)20)16-15-13-8-9-1-2-11(13)7-9/h3-6,9,11H,1-2,7-8H2,(H,16,18) |
| InChIK | JLJJVLYUSSISMT-UHFFFAOYSA-N |
| TotalMolweight | 273.291 |
| Molweight | 273.291 |
| MonoisotopicMass | 273.111342 |
| CLogP | 1.9341 |
| CLogS | -4.179 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 202.15 |
| Relative PSA | 0.32862 |
| PolarSurfaceArea | 87.28 |
| Druglikeness | -2.5275 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone |
| Shape Index | 0.65 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| StereoCenters | 2 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 4 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 7 |
| Symmetricatoms | 2 |
| AcidicOxygens | 1 |
| StereoCon | unknown chirality |
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1 - N-[(E)-2-bicyclo[2.2.1]heptanylideneamino]-4-nitrobenzamide | 2 - N-[(E)-2-bicyclo[2.2.1]heptanylideneamino]-4-nitrobenzamide
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