2-nitro-N-[(Z)-3-phenylprop-2-ynylideneamino]benzamide
Formula:C16H11N3O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-nitro-N-[(Z)-3-phenylprop-2-ynylideneamino]benzamide is a drug-like molecule.
| MolName | 2-nitro-N-[(Z)-3-phenylprop-2-ynylideneamino]benzamide |
| MolecularFormula | C16H11N3O3 |
| Smiles | [O-][N+](c(cccc1)c1C(N/N=C\C#Cc1ccccc1)=O)=O |
| InChI | InChI=1S/C16H11N3O3/c20-16(14-10-4-5-11-15(14)19(21)22)18-17-12-6-9-13-7-2-1-3-8-13/h1-5,7-8,10-12H,(H,18,20) |
| InChIK | RZLJVIBYKZNGDB-UHFFFAOYSA-N |
| TotalMolweight | 293.281 |
| Molweight | 293.281 |
| MonoisotopicMass | 293.080042 |
| CLogP | 2.229 |
| CLogS | -4.86 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 240.46 |
| Relative PSA | 0.27626 |
| PolarSurfaceArea | 87.28 |
| Druglikeness | -4.483 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.63636 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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