N-[(Z)-anthracen-9-ylmethylideneamino]-4-cyano-2-fluorobenzamide
Formula:C23H14N3OF
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-anthracen-9-ylmethylideneamino]-4-cyano-2-fluorobenzamide is not a drug-like molecule.
| MolName | N-[(Z)-anthracen-9-ylmethylideneamino]-4-cyano-2-fluorobenzamide |
| MolecularFormula | C23H14N3OF |
| Smiles | N#Cc(cc1)cc(F)c1C(N/N=C\c1c(cccc2)c2cc2ccccc12)=O |
| InChI | InChI=1S/C23H14FN3O/c24-22-11-15(13-25)9-10-20(22)23(28)27-26-14-21-18-7-3-1-5-16(18)12-17-6-2-4-8-19(17)21/h1-12,14H,(H,27,28) |
| InChIK | ZICGZWBKMLQQIN-UHFFFAOYSA-N |
| TotalMolweight | 367.382 |
| Molweight | 367.382 |
| MonoisotopicMass | 367.11209 |
| CLogP | 5.5268 |
| CLogS | -8.02 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 284.25 |
| Relative PSA | 0.17439 |
| PolarSurfaceArea | 65.25 |
| Druglikeness | -1.1513 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.53571 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 20 |
| Symmetricatoms | 6 |
| StereoCon |
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1 - N-[(Z)-anthracen-9-ylmethylideneamino]-4-cyano-2-fluorobenzamide | 2 - N-[(Z)-anthracen-9-ylmethylideneamino]-4-cyano-2-fluorobenzamide
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