3-(1H-indol-3-yl)-N-[(Z)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]propanamide
Formula:C22H18N4O4
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
3-(1H-indol-3-yl)-N-[(Z)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]propanamide is a drug-like molecule.
| MolName | 3-(1H-indol-3-yl)-N-[(Z)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]propanamide |
| MolecularFormula | C22H18N4O4 |
| Smiles | [O-][N+](c(cc1)ccc1-c1ccc(/C=N\NC(CCc2c[nH]c3c2cccc3)=O)o1)=O |
| InChI | InChI=1S/C22H18N4O4/c27-22(12-7-16-13-23-20-4-2-1-3-19(16)20)25-24-14-18-10-11-21(30-18)15-5-8-17(9-6-15)26(28)29/h1-6,8-11,13-14,23H,7,12H2,(H,25,27) |
| InChIK | LSKYZANOWFMYBW-UHFFFAOYSA-N |
| TotalMolweight | 402.409 |
| Molweight | 402.409 |
| MonoisotopicMass | 402.132806 |
| CLogP | 3.7108 |
| CLogS | -6.401 |
| H Acceptors | 8 |
| H Donors | 2 |
| TotalSurfaceArea | 311.8 |
| Relative PSA | 0.30318 |
| PolarSurfaceArea | 116.21 |
| Druglikeness | 0.72436 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 7 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 20 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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