N-[2-[(E)-N-hydroxy-C-phenylcarbonimidoyl]phenyl]-3-nitrobenzamide
Formula:C20H15N3O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[2-[(E)-N-hydroxy-C-phenylcarbonimidoyl]phenyl]-3-nitrobenzamide is a drug-like molecule.
| MolName | N-[2-[(E)-N-hydroxy-C-phenylcarbonimidoyl]phenyl]-3-nitrobenzamide |
| MolecularFormula | C20H15N3O4 |
| Smiles | [O-][N+](c1cc(C(Nc(cccc2)c2/C(/c2ccccc2)=N/O)=O)ccc1)=O |
| InChI | InChI=1S/C20H15N3O4/c24-20(15-9-6-10-16(13-15)23(26)27)21-18-12-5-4-11-17(18)19(22-25)14-7-2-1-3-8-14/h1-13,25H,(H,21,24) |
| InChIK | HIYXGRZVCCNWQM-UHFFFAOYSA-N |
| TotalMolweight | 361.356 |
| Molweight | 361.356 |
| MonoisotopicMass | 361.106257 |
| CLogP | 3.6369 |
| CLogS | -6.063 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 274.98 |
| Relative PSA | 0.28922 |
| PolarSurfaceArea | 107.51 |
| Druglikeness | -4.2879 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.51852 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - N-[2-[(E)-N-hydroxy-C-phenylcarbonimidoyl]phenyl]-3-nitrobenzamide | 2 - N-[2-[(E)-N-hydroxy-C-phenylcarbonimidoyl]phenyl]-3-nitrobenzamide
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