(E)-3-(3,5-dihydroxyphenyl)-N-[5-[(4-nitrophenyl)sulfamoyl]naphthalen-1-yl]prop-2-enamide
Formula:C25H19N3O7S
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
(E)-3-(3,5-dihydroxyphenyl)-N-[5-[(4-nitrophenyl)sulfamoyl]naphthalen-1-yl]prop-2-enamide is not a drug-like molecule.
| MolName | (E)-3-(3,5-dihydroxyphenyl)-N-[5-[(4-nitrophenyl)sulfamoyl]naphthalen-1-yl]prop-2-enamide |
| MolecularFormula | C25H19N3O7S |
| Smiles | [O-][N+](c(cc1)ccc1NS(c(c1ccc2)cccc1c2NC(/C=C/c1cc(O)cc(O)c1)=O)(=O)=O)=O |
| InChI | InChI=1S/C25H19N3O7S/c29-19-13-16(14-20(30)15-19)7-12-25(31)26-23-5-1-4-22-21(23)3-2-6-24(22)36(34,35)27-17-8-10-18(11-9-17)28(32)33/h1-15,27,29-30H,(H,26,31) |
| InChIK | ZSAMNSPRMNLXOQ-UHFFFAOYSA-N |
| TotalMolweight | 505.506 |
| Molweight | 505.506 |
| MonoisotopicMass | 505.094372 |
| CLogP | 3.0168 |
| CLogS | -6.305 |
| H Acceptors | 10 |
| H Donors | 4 |
| TotalSurfaceArea | 359.5 |
| Relative PSA | 0.33702 |
| PolarSurfaceArea | 169.93 |
| Druglikeness | -16.523 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.55556 |
| Fragments | 1 |
| Non HAtoms | 36 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Sp3Atoms | 4 |
| Symmetricatoms | 6 |
| Amides | 2 |
| AcidicOxygens | 1 |
| StereoCon |
Click to Load Molecule:
1 - (E)-3-(3,5-dihydroxyphenyl)-N-[5-[(4-nitrophenyl)sulfamoyl]naphthalen-1-yl]prop-2-enamide | 2 - (E)-3-(3,5-dihydroxyphenyl)-N-[5-[(4-nitrophenyl)sulfamoyl]naphthalen-1-yl]prop-2-enamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off