N-[(Z)-(2-nitrophenyl)methylideneamino]-1H-indole-3-carboxamide
Formula:C16H12N4O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(2-nitrophenyl)methylideneamino]-1H-indole-3-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-(2-nitrophenyl)methylideneamino]-1H-indole-3-carboxamide |
| MolecularFormula | C16H12N4O3 |
| Smiles | [O-][N+](c1c(/C=N\NC(c2c[nH]c3c2cccc3)=O)cccc1)=O |
| InChI | InChI=1S/C16H12N4O3/c21-16(13-10-17-14-7-3-2-6-12(13)14)19-18-9-11-5-1-4-8-15(11)20(22)23/h1-10,17H,(H,19,21) |
| InChIK | AIADAEFVYCGSJY-UHFFFAOYSA-N |
| TotalMolweight | 308.296 |
| Molweight | 308.296 |
| MonoisotopicMass | 308.090941 |
| CLogP | 2.3194 |
| CLogS | -4.706 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 234.83 |
| Relative PSA | 0.34246 |
| PolarSurfaceArea | 103.07 |
| Druglikeness | 0.31156 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.56522 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 1 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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