N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]-1H-indole-3-carboxamide
Formula:C18H15N3O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]-1H-indole-3-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]-1H-indole-3-carboxamide |
| MolecularFormula | C18H15N3O |
| Smiles | O=C(c1c[nH]c2c1cccc2)N/N=C\C=C\c1ccccc1 |
| InChI | InChI=1S/C18H15N3O/c22-18(16-13-19-17-11-5-4-10-15(16)17)21-20-12-6-9-14-7-2-1-3-8-14/h1-13,19H,(H,21,22) |
| InChIK | RJVQMSSLQZEGNT-UHFFFAOYSA-N |
| TotalMolweight | 289.337 |
| Molweight | 289.337 |
| MonoisotopicMass | 289.121512 |
| CLogP | 3.2593 |
| CLogS | -4.538 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 237.66 |
| Relative PSA | 0.21038 |
| PolarSurfaceArea | 57.25 |
| Druglikeness | 5.4456 |
| 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 | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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