N-[(Z)-(3-nitrophenyl)methylideneamino]-5-phenylmethoxy-1H-indole-2-carboxamide
Formula:C23H18N4O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(3-nitrophenyl)methylideneamino]-5-phenylmethoxy-1H-indole-2-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-(3-nitrophenyl)methylideneamino]-5-phenylmethoxy-1H-indole-2-carboxamide |
| MolecularFormula | C23H18N4O4 |
| Smiles | [O-][N+](c1cc(/C=N\NC(c2cc(cc(cc3)OCc4ccccc4)c3[nH]2)=O)ccc1)=O |
| InChI | InChI=1S/C23H18N4O4/c28-23(26-24-14-17-7-4-8-19(11-17)27(29)30)22-13-18-12-20(9-10-21(18)25-22)31-15-16-5-2-1-3-6-16/h1-14,25H,15H2,(H,26,28) |
| InChIK | QQJBPYHZBZLURD-UHFFFAOYSA-N |
| TotalMolweight | 414.42 |
| Molweight | 414.42 |
| MonoisotopicMass | 414.132806 |
| CLogP | 3.7215 |
| CLogS | -6.071 |
| H Acceptors | 8 |
| H Donors | 2 |
| TotalSurfaceArea | 318.35 |
| Relative PSA | 0.28403 |
| PolarSurfaceArea | 112.3 |
| Druglikeness | 0.2 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.64516 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 7 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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