N-[(Z)-[1-(4-nitrophenyl)pyrrol-2-yl]methylideneamino]-1H-indole-7-carboxamide
Formula:C20H15N5O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[1-(4-nitrophenyl)pyrrol-2-yl]methylideneamino]-1H-indole-7-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-[1-(4-nitrophenyl)pyrrol-2-yl]methylideneamino]-1H-indole-7-carboxamide |
| MolecularFormula | C20H15N5O3 |
| Smiles | [O-][N+](c(cc1)ccc1-n1c(/C=N\NC(c2c3[nH]ccc3ccc2)=O)ccc1)=O |
| InChI | InChI=1S/C20H15N5O3/c26-20(18-5-1-3-14-10-11-21-19(14)18)23-22-13-17-4-2-12-24(17)15-6-8-16(9-7-15)25(27)28/h1-13,21H,(H,23,26) |
| InChIK | RCVHGPHFDRBYPO-UHFFFAOYSA-N |
| TotalMolweight | 373.371 |
| Molweight | 373.371 |
| MonoisotopicMass | 373.11749 |
| CLogP | 2.5583 |
| CLogS | -7.043 |
| H Acceptors | 8 |
| H Donors | 2 |
| TotalSurfaceArea | 283.79 |
| Relative PSA | 0.30759 |
| PolarSurfaceArea | 108 |
| Druglikeness | 0.4659 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.57143 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 20 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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