N-[(Z)-[1-(4-chlorophenyl)pyrrol-2-yl]methylideneamino]-4-cyano-2-fluorobenzamide
Formula:C19H12N4OClF
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[1-(4-chlorophenyl)pyrrol-2-yl]methylideneamino]-4-cyano-2-fluorobenzamide is a drug-like molecule.
| MolName | N-[(Z)-[1-(4-chlorophenyl)pyrrol-2-yl]methylideneamino]-4-cyano-2-fluorobenzamide |
| MolecularFormula | C19H12N4OClF |
| Smiles | N#Cc(cc1)cc(F)c1C(N/N=C\c1cccn1-c(cc1)ccc1Cl)=O |
| InChI | InChI=1S/C19H12ClFN4O/c20-14-4-6-15(7-5-14)25-9-1-2-16(25)12-23-24-19(26)17-8-3-13(11-22)10-18(17)21/h1-10,12H,(H,24,26) |
| InChIK | CKFMNDOTYQMOJS-UHFFFAOYSA-N |
| TotalMolweight | 366.782 |
| Molweight | 366.782 |
| MonoisotopicMass | 366.068366 |
| CLogP | 3.9829 |
| CLogS | -7.881 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 279.43 |
| Relative PSA | 0.20198 |
| PolarSurfaceArea | 70.18 |
| Druglikeness | -0.13424 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.65385 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| 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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