N-[(Z)-[1-(4-iodophenyl)pyrrol-2-yl]methylideneamino]-2-[3-(trifluoromethyl)phenyl]acetamide
Formula:C20H15N3OF3I
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[1-(4-iodophenyl)pyrrol-2-yl]methylideneamino]-2-[3-(trifluoromethyl)phenyl]acetamide is a drug-like molecule.
| MolName | N-[(Z)-[1-(4-iodophenyl)pyrrol-2-yl]methylideneamino]-2-[3-(trifluoromethyl)phenyl]acetamide |
| MolecularFormula | C20H15N3OF3I |
| Smiles | O=C(Cc1cc(C(F)(F)F)ccc1)N/N=C\c1cccn1-c(cc1)ccc1I |
| InChI | InChI=1S/C20H15F3IN3O/c21-20(22,23)15-4-1-3-14(11-15)12-19(28)26-25-13-18-5-2-10-27(18)17-8-6-16(24)7-9-17/h1-11,13H,12H2,(H,26,28) |
| InChIK | ILDVWEINXLWFPN-UHFFFAOYSA-N |
| TotalMolweight | 497.253 |
| Molweight | 497.253 |
| MonoisotopicMass | 497.021194 |
| CLogP | 4.724 |
| CLogS | -7.817 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 305.45 |
| Relative PSA | 0.14038 |
| PolarSurfaceArea | 46.39 |
| Druglikeness | -1.3533 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.60714 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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