[4-[(Z)-[(3-nitrobenzoyl)hydrazinylidene]methyl]phenyl] (E)-3-(2-chlorophenyl)prop-2-enoate
Formula:C23H16N3O5Cl
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
[4-[(Z)-[(3-nitrobenzoyl)hydrazinylidene]methyl]phenyl] (E)-3-(2-chlorophenyl)prop-2-enoate is a drug-like molecule.
| MolName | [4-[(Z)-[(3-nitrobenzoyl)hydrazinylidene]methyl]phenyl] (E)-3-(2-chlorophenyl)prop-2-enoate |
| MolecularFormula | C23H16N3O5Cl |
| Smiles | [O-][N+](c1cccc(C(N/N=C\c(cc2)ccc2OC(/C=C/c(cccc2)c2Cl)=O)=O)c1)=O |
| InChI | InChI=1S/C23H16ClN3O5/c24-21-7-2-1-4-17(21)10-13-22(28)32-20-11-8-16(9-12-20)15-25-26-23(29)18-5-3-6-19(14-18)27(30)31/h1-15H,(H,26,29) |
| InChIK | XIQWGPRFKUSPGM-UHFFFAOYSA-N |
| TotalMolweight | 449.849 |
| Molweight | 449.849 |
| MonoisotopicMass | 449.077849 |
| CLogP | 4.6457 |
| CLogS | -6.757 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 340.09 |
| Relative PSA | 0.26308 |
| PolarSurfaceArea | 113.58 |
| Druglikeness | -3.1121 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.65625 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 8 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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