N-[2-[(2Z)-2-(anthracen-9-ylmethylidene)hydrazinyl]-2-oxoethyl]-4-fluorobenzamide
Formula:C24H18N3O2F
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N-[2-[(2Z)-2-(anthracen-9-ylmethylidene)hydrazinyl]-2-oxoethyl]-4-fluorobenzamide is a drug-like molecule.
| MolName | N-[2-[(2Z)-2-(anthracen-9-ylmethylidene)hydrazinyl]-2-oxoethyl]-4-fluorobenzamide |
| MolecularFormula | C24H18N3O2F |
| Smiles | O=C(CNC(c(cc1)ccc1F)=O)N/N=C\c1c(cccc2)c2cc2ccccc12 |
| InChI | InChI=1S/C24H18FN3O2/c25-19-11-9-16(10-12-19)24(30)26-15-23(29)28-27-14-22-20-7-3-1-5-17(20)13-18-6-2-4-8-21(18)22/h1-14H,15H2,(H,26,30)(H,28,29) |
| InChIK | ZLZGCFOXCJATME-UHFFFAOYSA-N |
| TotalMolweight | 399.424 |
| Molweight | 399.424 |
| MonoisotopicMass | 399.138305 |
| CLogP | 4.7749 |
| CLogS | -7.014 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 305.51 |
| Relative PSA | 0.19806 |
| PolarSurfaceArea | 70.56 |
| Druglikeness | 3.9887 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.56667 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 20 |
| Sp3Atoms | 1 |
| Symmetricatoms | 8 |
| Amides | 1 |
| StereoCon |
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1 - N-[2-[(2Z)-2-(anthracen-9-ylmethylidene)hydrazinyl]-2-oxoethyl]-4-fluorobenzamide | 2 - N-[2-[(2Z)-2-(anthracen-9-ylmethylidene)hydrazinyl]-2-oxoethyl]-4-fluorobenzamide
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