N-[(Z)-benzylideneamino]-3-(1H-indol-3-yl)propanamide
Formula:C18H17N3O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-benzylideneamino]-3-(1H-indol-3-yl)propanamide is a drug-like molecule.
| MolName | N-[(Z)-benzylideneamino]-3-(1H-indol-3-yl)propanamide |
| MolecularFormula | C18H17N3O |
| Smiles | O=C(CCc1c[nH]c2c1cccc2)N/N=C\c1ccccc1 |
| InChI | InChI=1S/C18H17N3O/c22-18(21-20-12-14-6-2-1-3-7-14)11-10-15-13-19-17-9-5-4-8-16(15)17/h1-9,12-13,19H,10-11H2,(H,21,22) |
| InChIK | DHLCWKAABPVILT-UHFFFAOYSA-N |
| TotalMolweight | 291.353 |
| Molweight | 291.353 |
| MonoisotopicMass | 291.137162 |
| CLogP | 3.6935 |
| CLogS | -4.481 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 238.68 |
| Relative PSA | 0.20949 |
| PolarSurfaceArea | 57.25 |
| Druglikeness | 3.8114 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.68182 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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