N-[(Z)-[1-(4-hydroxyphenyl)pyrrol-2-yl]methylideneamino]-3-(trifluoromethyl)benzamide
Formula:C19H14N3O2F3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[1-(4-hydroxyphenyl)pyrrol-2-yl]methylideneamino]-3-(trifluoromethyl)benzamide is a drug-like molecule.
| MolName | N-[(Z)-[1-(4-hydroxyphenyl)pyrrol-2-yl]methylideneamino]-3-(trifluoromethyl)benzamide |
| MolecularFormula | C19H14N3O2F3 |
| Smiles | Oc(cc1)ccc1-n1c(/C=N\NC(c2cccc(C(F)(F)F)c2)=O)ccc1 |
| InChI | InChI=1S/C19H14F3N3O2/c20-19(21,22)14-4-1-3-13(11-14)18(27)24-23-12-16-5-2-10-25(16)15-6-8-17(26)9-7-15/h1-12,26H,(H,24,27) |
| InChIK | BDBPOCWGKRUOSI-UHFFFAOYSA-N |
| TotalMolweight | 373.333 |
| Molweight | 373.333 |
| MonoisotopicMass | 373.103811 |
| CLogP | 3.9431 |
| CLogS | -6.54 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 271.76 |
| Relative PSA | 0.20599 |
| PolarSurfaceArea | 66.62 |
| Druglikeness | -1.7481 |
| 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 | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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