N-[(Z)-[1-[(4-fluorophenyl)methyl]indol-3-yl]methylideneamino]-3-(trifluoromethyl)benzamide
Formula:C24H17N3OF4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[1-[(4-fluorophenyl)methyl]indol-3-yl]methylideneamino]-3-(trifluoromethyl)benzamide is not a drug-like molecule.
| MolName | N-[(Z)-[1-[(4-fluorophenyl)methyl]indol-3-yl]methylideneamino]-3-(trifluoromethyl)benzamide |
| MolecularFormula | C24H17N3OF4 |
| Smiles | O=C(c1cc(C(F)(F)F)ccc1)N/N=C\c1cn(Cc(cc2)ccc2F)c2c1cccc2 |
| InChI | InChI=1S/C24H17F4N3O/c25-20-10-8-16(9-11-20)14-31-15-18(21-6-1-2-7-22(21)31)13-29-30-23(32)17-4-3-5-19(12-17)24(26,27)28/h1-13,15H,14H2,(H,30,32) |
| InChIK | GRWCVEOTNQHSFO-UHFFFAOYSA-N |
| TotalMolweight | 439.411 |
| Molweight | 439.411 |
| MonoisotopicMass | 439.130774 |
| CLogP | 5.6804 |
| CLogS | -5.791 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 320.12 |
| Relative PSA | 0.13395 |
| PolarSurfaceArea | 46.39 |
| Druglikeness | -1.0383 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.5625 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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