(4Z)-2-(3-fluorophenyl)-5-methylidene-4-[(3-nitrophenyl)methylidene]pyrazolidin-3-one
Formula:C17H12N3O3F
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(4Z)-2-(3-fluorophenyl)-5-methylidene-4-[(3-nitrophenyl)methylidene]pyrazolidin-3-one is a drug-like molecule.
| MolName | (4Z)-2-(3-fluorophenyl)-5-methylidene-4-[(3-nitrophenyl)methylidene]pyrazolidin-3-one |
| MolecularFormula | C17H12N3O3F |
| Smiles | C=C(/C(/C1=O)=C/c2cc([N+]([O-])=O)ccc2)NN1c1cccc(F)c1 |
| InChI | InChI=1S/C17H12FN3O3/c1-11-16(9-12-4-2-7-15(8-12)21(23)24)17(22)20(19-11)14-6-3-5-13(18)10-14/h2-10,19H,1H2 |
| InChIK | SKTXSYSTUHXXEK-UHFFFAOYSA-N |
| TotalMolweight | 325.298 |
| Molweight | 325.298 |
| MonoisotopicMass | 325.08627 |
| CLogP | 1.5689 |
| CLogS | -4.329 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 236.51 |
| Relative PSA | 0.24722 |
| PolarSurfaceArea | 78.16 |
| Druglikeness | -5.6495 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.54167 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| AcidicOxygens | 1 |
| StereoCon |
Click to Load Molecule:
1 - (4Z)-2-(3-fluorophenyl)-5-methylidene-4-[(3-nitrophenyl)methylidene]pyrazolidin-3-one | 2 - (4Z)-2-(3-fluorophenyl)-5-methylidene-4-[(3-nitrophenyl)methylidene]pyrazolidin-3-one
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off