(3Z)-3-[(4-nitrophenyl)methylidene]-2-phenylindolizin-4-ium-1-ol
Formula:C21H15N2O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(3Z)-3-[(4-nitrophenyl)methylidene]-2-phenylindolizin-4-ium-1-ol is a drug-like molecule.
| MolName | (3Z)-3-[(4-nitrophenyl)methylidene]-2-phenylindolizin-4-ium-1-ol |
| MolecularFormula | C21H15N2O3 |
| Smiles | [O-][N+](c1ccc(/C=C2\[n+](cccc3)c3C(O)=C2c2ccccc2)cc1)=O |
| InChI | InChI=1S/C21H14N2O3/c24-21-18-8-4-5-13-22(18)19(20(21)16-6-2-1-3-7-16)14-15-9-11-17(12-10-15)23(25)26/h1-14H/p+1 |
| InChIK | NQMSJSQWMBVUJG-UHFFFAOYSA-O |
| TotalMolweight | 343.361 |
| Molweight | 343.361 |
| MonoisotopicMass | 343.108268 |
| CLogP | -0.5806 |
| CLogS | -4.367 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 254.23 |
| Relative PSA | 0.18204 |
| PolarSurfaceArea | 69.93 |
| Druglikeness | -5.8599 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
Click to Load Molecule:
1 - (3Z)-3-[(4-nitrophenyl)methylidene]-2-phenylindolizin-4-ium-1-ol | 2 - (3Z)-3-[(4-nitrophenyl)methylidene]-2-phenylindolizin-4-ium-1-ol
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off