(Z)-N-(3-nitro-5-pyridin-3-yloxyphenyl)-3-phenylprop-2-enamide
Formula:C20H15N3O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(Z)-N-(3-nitro-5-pyridin-3-yloxyphenyl)-3-phenylprop-2-enamide is a drug-like molecule.
| MolName | (Z)-N-(3-nitro-5-pyridin-3-yloxyphenyl)-3-phenylprop-2-enamide |
| MolecularFormula | C20H15N3O4 |
| Smiles | [O-][N+](c1cc(Oc2cnccc2)cc(NC(/C=C\c2ccccc2)=O)c1)=O |
| InChI | InChI=1S/C20H15N3O4/c24-20(9-8-15-5-2-1-3-6-15)22-16-11-17(23(25)26)13-19(12-16)27-18-7-4-10-21-14-18/h1-14H,(H,22,24) |
| InChIK | MKRMUERBQJOUJT-UHFFFAOYSA-N |
| TotalMolweight | 361.356 |
| Molweight | 361.356 |
| MonoisotopicMass | 361.106257 |
| CLogP | 2.6094 |
| CLogS | -5.46 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 280.92 |
| Relative PSA | 0.27015 |
| PolarSurfaceArea | 97.04 |
| Druglikeness | -5.5242 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.59259 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
Click to Load Molecule:
1 - (Z)-N-(3-nitro-5-pyridin-3-yloxyphenyl)-3-phenylprop-2-enamide | 2 - (Z)-N-(3-nitro-5-pyridin-3-yloxyphenyl)-3-phenylprop-2-enamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off