N-[(Z)-(2-hydroxy-1,2-diphenylethylidene)amino]-4-nitrobenzamide
Formula:C21H17N3O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(2-hydroxy-1,2-diphenylethylidene)amino]-4-nitrobenzamide is a drug-like molecule.
| MolName | N-[(Z)-(2-hydroxy-1,2-diphenylethylidene)amino]-4-nitrobenzamide |
| MolecularFormula | C21H17N3O4 |
| Smiles | [O-][N+](c(cc1)ccc1C(N/N=C(\C(c1ccccc1)O)/c1ccccc1)=O)=O |
| InChI | InChI=1S/C21H17N3O4/c25-20(16-9-5-2-6-10-16)19(15-7-3-1-4-8-15)22-23-21(26)17-11-13-18(14-12-17)24(27)28/h1-14,20,25H,(H,23,26)/t20-/m1/s1 |
| InChIK | CBDIJWPYIBDWMZ-HXUWFJFHSA-N |
| TotalMolweight | 375.383 |
| Molweight | 375.383 |
| MonoisotopicMass | 375.121907 |
| CLogP | 2.5897 |
| CLogS | -5.128 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 287.48 |
| Relative PSA | 0.27665 |
| PolarSurfaceArea | 107.51 |
| Druglikeness | -1.4429 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone |
| Shape Index | 0.53571 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| StereoCenters | 1 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Symmetricatoms | 6 |
| AcidicOxygens | 1 |
| StereoCon | racemate |
Click to Load Molecule:
1 - N-[(Z)-(2-hydroxy-1,2-diphenylethylidene)amino]-4-nitrobenzamide | 2 - N-[(Z)-(2-hydroxy-1,2-diphenylethylidene)amino]-4-nitrobenzamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off