2-[2-[1-(4-nitrophenyl)ethenyl]hydrazinyl]ethanol
Formula:C10H13N3O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[2-[1-(4-nitrophenyl)ethenyl]hydrazinyl]ethanol is a drug-like molecule.
| MolName | 2-[2-[1-(4-nitrophenyl)ethenyl]hydrazinyl]ethanol |
| MolecularFormula | C10H13N3O3 |
| Smiles | C=C(c(cc1)ccc1[N+]([O-])=O)NNCCO |
| InChI | InChI=1S/C10H13N3O3/c1-8(12-11-6-7-14)9-2-4-10(5-3-9)13(15)16/h2-5,11-12,14H,1,6-7H2 |
| InChIK | VBUVSPFDLMOCEK-UHFFFAOYSA-N |
| TotalMolweight | 223.231 |
| Molweight | 223.231 |
| MonoisotopicMass | 223.095692 |
| CLogP | -0.8122 |
| CLogS | -2.436 |
| H Acceptors | 6 |
| H Donors | 3 |
| TotalSurfaceArea | 176.47 |
| Relative PSA | 0.37649 |
| PolarSurfaceArea | 90.11 |
| Druglikeness | -6.8067 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.75 |
| Fragments | 1 |
| Non HAtoms | 16 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 6 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 6 |
| Symmetricatoms | 2 |
| AcidicOxygens | 1 |
| StereoCon |
Click to Load Molecule:
1 - 2-[2-[1-(4-nitrophenyl)ethenyl]hydrazinyl]ethanol | 2 - 2-[2-[1-(4-nitrophenyl)ethenyl]hydrazinyl]ethanol
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off