N-[(Z)-3-[(2Z)-2-[(4-fluorophenyl)methylidene]hydrazinyl]-1-(4-nitrophenyl)-3-oxoprop-1-en-2-yl]benzamide
Formula:C23H17N4O4F
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-3-[(2Z)-2-[(4-fluorophenyl)methylidene]hydrazinyl]-1-(4-nitrophenyl)-3-oxoprop-1-en-2-yl]benzamide is a drug-like molecule.
| MolName | N-[(Z)-3-[(2Z)-2-[(4-fluorophenyl)methylidene]hydrazinyl]-1-(4-nitrophenyl)-3-oxoprop-1-en-2-yl]benzamide |
| MolecularFormula | C23H17N4O4F |
| Smiles | [O-][N+](c1ccc(/C=C(/C(N/N=C\c(cc2)ccc2F)=O)\NC(c2ccccc2)=O)cc1)=O |
| InChI | InChI=1S/C23H17FN4O4/c24-19-10-6-17(7-11-19)15-25-27-23(30)21(26-22(29)18-4-2-1-3-5-18)14-16-8-12-20(13-9-16)28(31)32/h1-15H,(H,26,29)(H,27,30) |
| InChIK | KEMSYZWGJYJKLF-UHFFFAOYSA-N |
| TotalMolweight | 432.41 |
| Molweight | 432.41 |
| MonoisotopicMass | 432.123384 |
| CLogP | 3.9975 |
| CLogS | -6.24 |
| H Acceptors | 8 |
| H Donors | 2 |
| TotalSurfaceArea | 330.69 |
| Relative PSA | 0.27497 |
| PolarSurfaceArea | 116.38 |
| Druglikeness | -0.041155 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.53125 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 1 |
| Symmetricatoms | 6 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - N-[(Z)-3-[(2Z)-2-[(4-fluorophenyl)methylidene]hydrazinyl]-1-(4-nitrophenyl)-3-oxoprop-1-en-2-yl]benzamide | 2 - N-[(Z)-3-[(2Z)-2-[(4-fluorophenyl)methylidene]hydrazinyl]-1-(4-nitrophenyl)-3-oxoprop-1-en-2-yl]benzamide
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