N-[(Z)-[1-[(4-fluorophenyl)methyl]indol-3-yl]methylideneamino]furan-2-carboxamide
Formula:C21H16N3O2F
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[1-[(4-fluorophenyl)methyl]indol-3-yl]methylideneamino]furan-2-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-[1-[(4-fluorophenyl)methyl]indol-3-yl]methylideneamino]furan-2-carboxamide |
| MolecularFormula | C21H16N3O2F |
| Smiles | O=C(c1ccco1)N/N=C\c1cn(Cc(cc2)ccc2F)c2c1cccc2 |
| InChI | InChI=1S/C21H16FN3O2/c22-17-9-7-15(8-10-17)13-25-14-16(18-4-1-2-5-19(18)25)12-23-24-21(26)20-6-3-11-27-20/h1-12,14H,13H2,(H,24,26) |
| InChIK | FDIKMPMRYNUMRX-UHFFFAOYSA-N |
| TotalMolweight | 361.375 |
| Molweight | 361.375 |
| MonoisotopicMass | 361.122655 |
| CLogP | 4.0208 |
| CLogS | -4.695 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 280.35 |
| Relative PSA | 0.20328 |
| PolarSurfaceArea | 59.53 |
| Druglikeness | 4.5976 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.59259 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 20 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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