benzyl-[(Z)-2-(2,5-dihydroxyphenyl)-2-nitroethenyl]azanium
Formula:C15H15N2O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
benzyl-[(Z)-2-(2,5-dihydroxyphenyl)-2-nitroethenyl]azanium is a drug-like molecule.
| MolName | benzyl-[(Z)-2-(2,5-dihydroxyphenyl)-2-nitroethenyl]azanium |
| MolecularFormula | C15H15N2O4 |
| Smiles | [O-][N+](/C(/c(cc(cc1)O)c1O)=C\[NH2+]Cc1ccccc1)=O |
| InChI | InChI=1S/C15H14N2O4/c18-12-6-7-15(19)13(8-12)14(17(20)21)10-16-9-11-4-2-1-3-5-11/h1-8,10,16,18-19H,9H2/p+1 |
| InChIK | NPSRMRWMLLJDIC-UHFFFAOYSA-O |
| TotalMolweight | 287.294 |
| Molweight | 287.294 |
| MonoisotopicMass | 287.103183 |
| CLogP | -0.4796 |
| CLogS | -2.882 |
| H Acceptors | 6 |
| H Donors | 3 |
| TotalSurfaceArea | 215.6 |
| Relative PSA | 0.29852 |
| PolarSurfaceArea | 102.89 |
| Druglikeness | -6.8483 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.57143 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 5 |
| Symmetricatoms | 2 |
| AcidicOxygens | 1 |
| StereoCon |
Click to Load Molecule:
1 - benzyl-[(Z)-2-(2,5-dihydroxyphenyl)-2-nitroethenyl]azanium | 2 - benzyl-[(Z)-2-(2,5-dihydroxyphenyl)-2-nitroethenyl]azanium
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off