3-[(2Z)-2-(4-chlorophenyl)-2-hydrazinylideneethyl]-3H-2-benzofuran-1-one
Formula:C16H13N2O2Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-[(2Z)-2-(4-chlorophenyl)-2-hydrazinylideneethyl]-3H-2-benzofuran-1-one is a drug-like molecule.
| MolName | 3-[(2Z)-2-(4-chlorophenyl)-2-hydrazinylideneethyl]-3H-2-benzofuran-1-one |
| MolecularFormula | C16H13N2O2Cl |
| Smiles | N/N=C(/CC(c1c2cccc1)OC2=O)\c(cc1)ccc1Cl |
| InChI | InChI=1S/C16H13ClN2O2/c17-11-7-5-10(6-8-11)14(19-18)9-15-12-3-1-2-4-13(12)16(20)21-15/h1-8,15H,9,18H2/t15-/m0/s1 |
| InChIK | ILRCNAQGGFOBCO-HNNXBMFYSA-N |
| TotalMolweight | 300.744 |
| Molweight | 300.744 |
| MonoisotopicMass | 300.066555 |
| CLogP | 3.136 |
| CLogS | -4.84 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 220.44 |
| Relative PSA | 0.226 |
| PolarSurfaceArea | 64.68 |
| Druglikeness | -1.8897 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.57143 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| StereoCenters | 1 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| Symmetricatoms | 2 |
| StereoCon | racemate |
Click to Load Molecule:
1 - 3-[(2Z)-2-(4-chlorophenyl)-2-hydrazinylideneethyl]-3H-2-benzofuran-1-one | 2 - 3-[(2Z)-2-(4-chlorophenyl)-2-hydrazinylideneethyl]-3H-2-benzofuran-1-one
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off