2-[2-nitro-4-[(Z)-(phenylhydrazinylidene)methyl]phenyl]sulfanylethanol
Formula:C15H15N3O3S
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
2-[2-nitro-4-[(Z)-(phenylhydrazinylidene)methyl]phenyl]sulfanylethanol is a drug-like molecule.
| MolName | 2-[2-nitro-4-[(Z)-(phenylhydrazinylidene)methyl]phenyl]sulfanylethanol |
| MolecularFormula | C15H15N3O3S |
| Smiles | [O-][N+](c(cc(/C=N\Nc1ccccc1)cc1)c1SCCO)=O |
| InChI | InChI=1S/C15H15N3O3S/c19-8-9-22-15-7-6-12(10-14(15)18(20)21)11-16-17-13-4-2-1-3-5-13/h1-7,10-11,17,19H,8-9H2 |
| InChIK | FDPNGORXJFGXTB-UHFFFAOYSA-N |
| TotalMolweight | 317.368 |
| Molweight | 317.368 |
| MonoisotopicMass | 317.083412 |
| CLogP | 3.9668 |
| CLogS | -4.182 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 244.27 |
| Relative PSA | 0.3438 |
| PolarSurfaceArea | 115.74 |
| Druglikeness | -2.8748 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde |
| Shape Index | 0.68182 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 7 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 5 |
| Symmetricatoms | 2 |
| AcidicOxygens | 1 |
| StereoCon |
Click to Load Molecule:
1 - 2-[2-nitro-4-[(Z)-(phenylhydrazinylidene)methyl]phenyl]sulfanylethanol | 2 - 2-[2-nitro-4-[(Z)-(phenylhydrazinylidene)methyl]phenyl]sulfanylethanol
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off