2-[4-[(2Z)-2-[(2-nitrophenyl)methylidene]hydrazinyl]phenoxy]acetic acid
Formula:C15H13N3O5
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[4-[(2Z)-2-[(2-nitrophenyl)methylidene]hydrazinyl]phenoxy]acetic acid is a drug-like molecule.
| MolName | 2-[4-[(2Z)-2-[(2-nitrophenyl)methylidene]hydrazinyl]phenoxy]acetic acid |
| MolecularFormula | C15H13N3O5 |
| Smiles | [O-][N+](c1c(/C=N\Nc(cc2)ccc2OCC(O)=O)cccc1)=O |
| InChI | InChI=1S/C15H13N3O5/c19-15(20)10-23-13-7-5-12(6-8-13)17-16-9-11-3-1-2-4-14(11)18(21)22/h1-9,17H,10H2,(H,19,20) |
| InChIK | HMLDLQUDNLLFGS-UHFFFAOYSA-N |
| TotalMolweight | 315.284 |
| Molweight | 315.284 |
| MonoisotopicMass | 315.085522 |
| CLogP | 2.9793 |
| CLogS | -3.402 |
| H Acceptors | 8 |
| H Donors | 2 |
| TotalSurfaceArea | 240.77 |
| Relative PSA | 0.37185 |
| PolarSurfaceArea | 116.74 |
| Druglikeness | -3.0768 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde |
| Shape Index | 0.65217 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| 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-[4-[(2Z)-2-[(2-nitrophenyl)methylidene]hydrazinyl]phenoxy]acetic acid | 2 - 2-[4-[(2Z)-2-[(2-nitrophenyl)methylidene]hydrazinyl]phenoxy]acetic acid
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