2-[3-[(Z)-[[2-(4-nitrophenyl)sulfanylacetyl]hydrazinylidene]methyl]indol-1-yl]acetamide
Formula:C19H17N5O4S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[3-[(Z)-[[2-(4-nitrophenyl)sulfanylacetyl]hydrazinylidene]methyl]indol-1-yl]acetamide is a drug-like molecule.
| MolName | 2-[3-[(Z)-[[2-(4-nitrophenyl)sulfanylacetyl]hydrazinylidene]methyl]indol-1-yl]acetamide |
| MolecularFormula | C19H17N5O4S |
| Smiles | NC(Cn1c(cccc2)c2c(/C=N\NC(CSc(cc2)ccc2[N+]([O-])=O)=O)c1)=O |
| InChI | InChI=1S/C19H17N5O4S/c20-18(25)11-23-10-13(16-3-1-2-4-17(16)23)9-21-22-19(26)12-29-15-7-5-14(6-8-15)24(27)28/h1-10H,11-12H2,(H2,20,25)(H,22,26) |
| InChIK | LYMOHCRYIUKLEO-UHFFFAOYSA-N |
| TotalMolweight | 411.441 |
| Molweight | 411.441 |
| MonoisotopicMass | 411.100125 |
| CLogP | 1.2469 |
| CLogS | -4.467 |
| H Acceptors | 9 |
| H Donors | 2 |
| TotalSurfaceArea | 305.74 |
| Relative PSA | 0.38955 |
| PolarSurfaceArea | 160.6 |
| Druglikeness | 2.3316 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.62069 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 8 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 4 |
| Symmetricatoms | 2 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 2-[3-[(Z)-[[2-(4-nitrophenyl)sulfanylacetyl]hydrazinylidene]methyl]indol-1-yl]acetamide | 2 - 2-[3-[(Z)-[[2-(4-nitrophenyl)sulfanylacetyl]hydrazinylidene]methyl]indol-1-yl]acetamide
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