4-cyano-2-fluoro-N-[(Z)-(1-phenylpyrrol-2-yl)methylideneamino]benzamide
Formula:C19H13N4OF
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-cyano-2-fluoro-N-[(Z)-(1-phenylpyrrol-2-yl)methylideneamino]benzamide is a drug-like molecule.
| MolName | 4-cyano-2-fluoro-N-[(Z)-(1-phenylpyrrol-2-yl)methylideneamino]benzamide |
| MolecularFormula | C19H13N4OF |
| Smiles | N#Cc(cc1)cc(F)c1C(N/N=C\c1cccn1-c1ccccc1)=O |
| InChI | InChI=1S/C19H13FN4O/c20-18-11-14(12-21)8-9-17(18)19(25)23-22-13-16-7-4-10-24(16)15-5-2-1-3-6-15/h1-11,13H,(H,23,25) |
| InChIK | YSWSTTDNXPQQCD-UHFFFAOYSA-N |
| TotalMolweight | 332.337 |
| Molweight | 332.337 |
| MonoisotopicMass | 332.107339 |
| CLogP | 3.3769 |
| CLogS | -7.145 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 264.01 |
| Relative PSA | 0.21378 |
| PolarSurfaceArea | 70.18 |
| Druglikeness | -0.15356 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.64 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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