N-[2-[(2Z)-2-(anthracen-9-ylmethylidene)hydrazinyl]-2-oxoethyl]-2,2-diphenylacetamide
Formula:C31H25N3O2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N-[2-[(2Z)-2-(anthracen-9-ylmethylidene)hydrazinyl]-2-oxoethyl]-2,2-diphenylacetamide is not a drug-like molecule.
| MolName | N-[2-[(2Z)-2-(anthracen-9-ylmethylidene)hydrazinyl]-2-oxoethyl]-2,2-diphenylacetamide |
| MolecularFormula | C31H25N3O2 |
| Smiles | O=C(CNC(C(c1ccccc1)c1ccccc1)=O)N/N=C\c1c(cccc2)c2cc2ccccc12 |
| InChI | InChI=1S/C31H25N3O2/c35-29(21-32-31(36)30(22-11-3-1-4-12-22)23-13-5-2-6-14-23)34-33-20-28-26-17-9-7-15-24(26)19-25-16-8-10-18-27(25)28/h1-20,30H,21H2,(H,32,36)(H,34,35) |
| InChIK | XRPQFXULNITHKL-UHFFFAOYSA-N |
| TotalMolweight | 471.559 |
| Molweight | 471.559 |
| MonoisotopicMass | 471.194677 |
| CLogP | 6.1998 |
| CLogS | -7.814 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 371.42 |
| Relative PSA | 0.16292 |
| PolarSurfaceArea | 70.56 |
| Druglikeness | 6.3152 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.47222 |
| Fragments | 1 |
| Non HAtoms | 36 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 7 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 26 |
| Sp3Atoms | 2 |
| Symmetricatoms | 14 |
| Amides | 1 |
| StereoCon |
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1 - N-[2-[(2Z)-2-(anthracen-9-ylmethylidene)hydrazinyl]-2-oxoethyl]-2,2-diphenylacetamide | 2 - N-[2-[(2Z)-2-(anthracen-9-ylmethylidene)hydrazinyl]-2-oxoethyl]-2,2-diphenylacetamide
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