2-[4-[(Z)-[(5-nitro-1-benzofuran-2-carbonyl)hydrazinylidene]methyl]phenoxy]acetic acid
Formula:C18H13N3O7
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[4-[(Z)-[(5-nitro-1-benzofuran-2-carbonyl)hydrazinylidene]methyl]phenoxy]acetic acid is a drug-like molecule.
| MolName | 2-[4-[(Z)-[(5-nitro-1-benzofuran-2-carbonyl)hydrazinylidene]methyl]phenoxy]acetic acid |
| MolecularFormula | C18H13N3O7 |
| Smiles | [O-][N+](c(cc1)cc2c1oc(C(N/N=C\c(cc1)ccc1OCC(O)=O)=O)c2)=O |
| InChI | InChI=1S/C18H13N3O7/c22-17(23)10-27-14-4-1-11(2-5-14)9-19-20-18(24)16-8-12-7-13(21(25)26)3-6-15(12)28-16/h1-9H,10H2,(H,20,24)(H,22,23) |
| InChIK | FUPCVQIKOYPPNX-UHFFFAOYSA-N |
| TotalMolweight | 383.315 |
| Molweight | 383.315 |
| MonoisotopicMass | 383.075352 |
| CLogP | 1.8456 |
| CLogS | -5.157 |
| H Acceptors | 10 |
| H Donors | 2 |
| TotalSurfaceArea | 282.81 |
| Relative PSA | 0.41257 |
| PolarSurfaceArea | 146.95 |
| Druglikeness | -0.24817 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.67857 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 4 |
| Symmetricatoms | 2 |
| AcidicOxygens | 2 |
| StereoCon |
Click to Load Molecule:
1 - 2-[4-[(Z)-[(5-nitro-1-benzofuran-2-carbonyl)hydrazinylidene]methyl]phenoxy]acetic acid | 2 - 2-[4-[(Z)-[(5-nitro-1-benzofuran-2-carbonyl)hydrazinylidene]methyl]phenoxy]acetic acid
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off