(2Z)-2-[(Z)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]hydrazinylidene]-1,2-diphenylethanone
Formula:C23H17N3O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(2Z)-2-[(Z)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]hydrazinylidene]-1,2-diphenylethanone is a drug-like molecule.
| MolName | (2Z)-2-[(Z)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]hydrazinylidene]-1,2-diphenylethanone |
| MolecularFormula | C23H17N3O3 |
| Smiles | [O-][N+](c1c(/C=C/C=N\N=C(/C(c2ccccc2)=O)\c2ccccc2)cccc1)=O |
| InChI | InChI=1S/C23H17N3O3/c27-23(20-13-5-2-6-14-20)22(19-11-3-1-4-12-19)25-24-17-9-15-18-10-7-8-16-21(18)26(28)29/h1-17H |
| InChIK | CQZZDKAMUGQLFU-UHFFFAOYSA-N |
| TotalMolweight | 383.406 |
| Molweight | 383.406 |
| MonoisotopicMass | 383.126992 |
| CLogP | 4.3738 |
| CLogS | -6.56 |
| H Acceptors | 6 |
| TotalSurfaceArea | 308.43 |
| Relative PSA | 0.21554 |
| PolarSurfaceArea | 87.61 |
| Druglikeness | -2.3398 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; dimethylene-hydrazine; imine/hydrazone of aldehyde |
| Shape Index | 0.51724 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - (2Z)-2-[(Z)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]hydrazinylidene]-1,2-diphenylethanone | 2 - (2Z)-2-[(Z)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]hydrazinylidene]-1,2-diphenylethanone
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