2-[(Z)-(cyclopropanecarbonylhydrazinylidene)methyl]-4-nitrophenolate
Formula:C11H10N3O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[(Z)-(cyclopropanecarbonylhydrazinylidene)methyl]-4-nitrophenolate is a drug-like molecule.
| MolName | 2-[(Z)-(cyclopropanecarbonylhydrazinylidene)methyl]-4-nitrophenolate |
| MolecularFormula | C11H10N3O4 |
| Smiles | [O-]c(cc1)c(/C=N\NC(C2CC2)=O)cc1[N+]([O-])=O |
| InChI | InChI=1S/C11H11N3O4/c15-10-4-3-9(14(17)18)5-8(10)6-12-13-11(16)7-1-2-7/h3-7,15H,1-2H2,(H,13,16)/p-1 |
| InChIK | FYVWTHHBLWDOOL-UHFFFAOYSA-M |
| TotalMolweight | 248.217 |
| Molweight | 248.217 |
| MonoisotopicMass | 248.067132 |
| CLogP | -0.7694 |
| CLogS | -3.231 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 184.95 |
| Relative PSA | 0.43639 |
| PolarSurfaceArea | 110.34 |
| Druglikeness | 0.56313 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.61111 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 5 |
| Symmetricatoms | 1 |
| AcidicOxygens | 1 |
| StereoCon |
Click to Load Molecule:
1 - 2-[(Z)-(cyclopropanecarbonylhydrazinylidene)methyl]-4-nitrophenolate | 2 - 2-[(Z)-(cyclopropanecarbonylhydrazinylidene)methyl]-4-nitrophenolate
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off