2-[2-[(Z)-[(4-nitrobenzoyl)hydrazinylidene]methyl]phenoxy]acetic acid
Formula:C16H13N3O6
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[2-[(Z)-[(4-nitrobenzoyl)hydrazinylidene]methyl]phenoxy]acetic acid is a drug-like molecule.
| MolName | 2-[2-[(Z)-[(4-nitrobenzoyl)hydrazinylidene]methyl]phenoxy]acetic acid |
| MolecularFormula | C16H13N3O6 |
| Smiles | [O-][N+](c(cc1)ccc1C(N/N=C\c(cccc1)c1OCC(O)=O)=O)=O |
| InChI | InChI=1S/C16H13N3O6/c20-15(21)10-25-14-4-2-1-3-12(14)9-17-18-16(22)11-5-7-13(8-6-11)19(23)24/h1-9H,10H2,(H,18,22)(H,20,21) |
| InChIK | PDCGGZBAATURSH-UHFFFAOYSA-N |
| TotalMolweight | 343.294 |
| Molweight | 343.294 |
| MonoisotopicMass | 343.080437 |
| CLogP | 1.34 |
| CLogS | -3.974 |
| H Acceptors | 9 |
| H Donors | 2 |
| TotalSurfaceArea | 258.52 |
| Relative PSA | 0.39676 |
| PolarSurfaceArea | 133.81 |
| Druglikeness | -0.86466 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.64 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 7 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| Symmetricatoms | 2 |
| AcidicOxygens | 2 |
| StereoCon |
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1 - 2-[2-[(Z)-[(4-nitrobenzoyl)hydrazinylidene]methyl]phenoxy]acetic acid | 2 - 2-[2-[(Z)-[(4-nitrobenzoyl)hydrazinylidene]methyl]phenoxy]acetic acid
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