3-phenyl-N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]-1H-indole-2-carboxamide
Formula:C23H16N3OF3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
3-phenyl-N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]-1H-indole-2-carboxamide is not a drug-like molecule.
| MolName | 3-phenyl-N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]-1H-indole-2-carboxamide |
| MolecularFormula | C23H16N3OF3 |
| Smiles | O=C(c([nH]c1c2cccc1)c2-c1ccccc1)N/N=C\c1c(C(F)(F)F)cccc1 |
| InChI | InChI=1S/C23H16F3N3O/c24-23(25,26)18-12-6-4-10-16(18)14-27-29-22(30)21-20(15-8-2-1-3-9-15)17-11-5-7-13-19(17)28-21/h1-14,28H,(H,29,30) |
| InChIK | QLMFWFCLVYJDSW-UHFFFAOYSA-N |
| TotalMolweight | 407.394 |
| Molweight | 407.394 |
| MonoisotopicMass | 407.124546 |
| CLogP | 5.8025 |
| CLogS | -7.134 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 300.38 |
| Relative PSA | 0.16646 |
| PolarSurfaceArea | 57.25 |
| Druglikeness | -1.5694 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.46667 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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