N-[(Z)-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methylideneamino]-3-nitrobenzamide
Formula:C23H16N5O3F
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methylideneamino]-3-nitrobenzamide is a drug-like molecule.
| MolName | N-[(Z)-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methylideneamino]-3-nitrobenzamide |
| MolecularFormula | C23H16N5O3F |
| Smiles | [O-][N+](c1cccc(C(N/N=C\c2cn(-c3ccccc3)nc2-c(cc2)ccc2F)=O)c1)=O |
| InChI | InChI=1S/C23H16FN5O3/c24-19-11-9-16(10-12-19)22-18(15-28(27-22)20-6-2-1-3-7-20)14-25-26-23(30)17-5-4-8-21(13-17)29(31)32/h1-15H,(H,26,30) |
| InChIK | SVCRMSDOBFNWIB-UHFFFAOYSA-N |
| TotalMolweight | 429.41 |
| Molweight | 429.41 |
| MonoisotopicMass | 429.123718 |
| CLogP | 3.2998 |
| CLogS | -6.008 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 324.49 |
| Relative PSA | 0.2597 |
| PolarSurfaceArea | 105.1 |
| Druglikeness | -0.57641 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 23 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 2 |
| AcidicOxygens | 1 |
| StereoCon |
Click to Load Molecule:
1 - N-[(Z)-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methylideneamino]-3-nitrobenzamide | 2 - N-[(Z)-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methylideneamino]-3-nitrobenzamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off