N-hydroxy-2-nitro-N-[4-[(E)-2-phenylethenyl]phenyl]benzamide
Formula:C21H16N2O4
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N-hydroxy-2-nitro-N-[4-[(E)-2-phenylethenyl]phenyl]benzamide is a drug-like molecule.
| MolName | N-hydroxy-2-nitro-N-[4-[(E)-2-phenylethenyl]phenyl]benzamide |
| MolecularFormula | C21H16N2O4 |
| Smiles | [O-][N+](c(cccc1)c1C(N(c1ccc(/C=C/c2ccccc2)cc1)O)=O)=O |
| InChI | InChI=1S/C21H16N2O4/c24-21(19-8-4-5-9-20(19)23(26)27)22(25)18-14-12-17(13-15-18)11-10-16-6-2-1-3-7-16/h1-15,25H |
| InChIK | WEORJFVGJAGJMU-UHFFFAOYSA-N |
| TotalMolweight | 360.368 |
| Molweight | 360.368 |
| MonoisotopicMass | 360.111008 |
| CLogP | 3.7683 |
| CLogS | -5.21 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 277.35 |
| Relative PSA | 0.21673 |
| PolarSurfaceArea | 86.36 |
| Druglikeness | -4.5816 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.59259 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| AcidicOxygens | 1 |
| StereoCon |
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