3-(1H-indol-3-yl)-N-[(Z)-(4-nitrophenyl)methylideneamino]propanamide
Formula:C18H16N4O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-(1H-indol-3-yl)-N-[(Z)-(4-nitrophenyl)methylideneamino]propanamide is a drug-like molecule.
| MolName | 3-(1H-indol-3-yl)-N-[(Z)-(4-nitrophenyl)methylideneamino]propanamide |
| MolecularFormula | C18H16N4O3 |
| Smiles | [O-][N+](c1ccc(/C=N\NC(CCc2c[nH]c3c2cccc3)=O)cc1)=O |
| InChI | InChI=1S/C18H16N4O3/c23-18(10-7-14-12-19-17-4-2-1-3-16(14)17)21-20-11-13-5-8-15(9-6-13)22(24)25/h1-6,8-9,11-12,19H,7,10H2,(H,21,23) |
| InChIK | ZJKAZSRLFFRLNI-UHFFFAOYSA-N |
| TotalMolweight | 336.35 |
| Molweight | 336.35 |
| MonoisotopicMass | 336.122241 |
| CLogP | 2.7719 |
| CLogS | -4.941 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 262.35 |
| Relative PSA | 0.30654 |
| PolarSurfaceArea | 103.07 |
| Druglikeness | -1.2912 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.68 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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