2-[2-[(Z)-[(2-hydroxy-5-nitrobenzoyl)hydrazinylidene]methyl]phenoxy]acetic acid
Formula:C16H13N3O7
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[2-[(Z)-[(2-hydroxy-5-nitrobenzoyl)hydrazinylidene]methyl]phenoxy]acetic acid is a drug-like molecule.
| MolName | 2-[2-[(Z)-[(2-hydroxy-5-nitrobenzoyl)hydrazinylidene]methyl]phenoxy]acetic acid |
| MolecularFormula | C16H13N3O7 |
| Smiles | [O-][N+](c(cc1)cc(C(N/N=C\c(cccc2)c2OCC(O)=O)=O)c1O)=O |
| InChI | InChI=1S/C16H13N3O7/c20-13-6-5-11(19(24)25)7-12(13)16(23)18-17-8-10-3-1-2-4-14(10)26-9-15(21)22/h1-8,20H,9H2,(H,18,23)(H,21,22) |
| InChIK | WUGKGZMUDNELAX-UHFFFAOYSA-N |
| TotalMolweight | 359.293 |
| Molweight | 359.293 |
| MonoisotopicMass | 359.075352 |
| CLogP | 0.9943 |
| CLogS | -3.678 |
| H Acceptors | 10 |
| H Donors | 3 |
| TotalSurfaceArea | 264.87 |
| Relative PSA | 0.4367 |
| PolarSurfaceArea | 154.04 |
| Druglikeness | -0.86466 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.57692 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 7 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 5 |
| AcidicOxygens | 2 |
| StereoCon |
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1 - 2-[2-[(Z)-[(2-hydroxy-5-nitrobenzoyl)hydrazinylidene]methyl]phenoxy]acetic acid | 2 - 2-[2-[(Z)-[(2-hydroxy-5-nitrobenzoyl)hydrazinylidene]methyl]phenoxy]acetic acid
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