N-[(Z)-[1-(cyanomethyl)indol-3-yl]methylideneamino]-3-(trifluoromethyl)benzamide
Formula:C19H13N4OF3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[1-(cyanomethyl)indol-3-yl]methylideneamino]-3-(trifluoromethyl)benzamide is a drug-like molecule.
| MolName | N-[(Z)-[1-(cyanomethyl)indol-3-yl]methylideneamino]-3-(trifluoromethyl)benzamide |
| MolecularFormula | C19H13N4OF3 |
| Smiles | N#CCn1c(cccc2)c2c(/C=N\NC(c2cccc(C(F)(F)F)c2)=O)c1 |
| InChI | InChI=1S/C19H13F3N4O/c20-19(21,22)15-5-3-4-13(10-15)18(27)25-24-11-14-12-26(9-8-23)17-7-2-1-6-16(14)17/h1-7,10-12H,9H2,(H,25,27) |
| InChIK | WVNICCDYUPNVEF-UHFFFAOYSA-N |
| TotalMolweight | 370.333 |
| Molweight | 370.333 |
| MonoisotopicMass | 370.104145 |
| CLogP | 3.7237 |
| CLogS | -4.84 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 275.72 |
| Relative PSA | 0.2047 |
| PolarSurfaceArea | 70.18 |
| Druglikeness | -5.3183 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.55556 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| 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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