N-[(Z)-2,3-dihydro-1H-inden-5-ylmethylideneamino]-3-nitrobenzamide
Formula:C17H15N3O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-2,3-dihydro-1H-inden-5-ylmethylideneamino]-3-nitrobenzamide is a drug-like molecule.
| MolName | N-[(Z)-2,3-dihydro-1H-inden-5-ylmethylideneamino]-3-nitrobenzamide |
| MolecularFormula | C17H15N3O3 |
| Smiles | [O-][N+](c1cc(C(N/N=C\c2cc(CCC3)c3cc2)=O)ccc1)=O |
| InChI | InChI=1S/C17H15N3O3/c21-17(15-5-2-6-16(10-15)20(22)23)19-18-11-12-7-8-13-3-1-4-14(13)9-12/h2,5-11H,1,3-4H2,(H,19,21) |
| InChIK | FJOQKXDOENNPPP-UHFFFAOYSA-N |
| TotalMolweight | 309.324 |
| Molweight | 309.324 |
| MonoisotopicMass | 309.111342 |
| CLogP | 3.0948 |
| CLogS | -5.003 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 238.44 |
| Relative PSA | 0.2786 |
| PolarSurfaceArea | 87.28 |
| Druglikeness | -3.8041 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.6087 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| AcidicOxygens | 1 |
| StereoCon |
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