2-[2-chloro-4-[(Z)-[[2-(4-nitrophenyl)sulfanylacetyl]hydrazinylidene]methyl]phenoxy]acetic acid
Formula:C17H14N3O6ClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[2-chloro-4-[(Z)-[[2-(4-nitrophenyl)sulfanylacetyl]hydrazinylidene]methyl]phenoxy]acetic acid is a drug-like molecule.
| MolName | 2-[2-chloro-4-[(Z)-[[2-(4-nitrophenyl)sulfanylacetyl]hydrazinylidene]methyl]phenoxy]acetic acid |
| MolecularFormula | C17H14N3O6ClS |
| Smiles | [O-][N+](c(cc1)ccc1SCC(N/N=C\c(cc1)cc(Cl)c1OCC(O)=O)=O)=O |
| InChI | InChI=1S/C17H14ClN3O6S/c18-14-7-11(1-6-15(14)27-9-17(23)24)8-19-20-16(22)10-28-13-4-2-12(3-5-13)21(25)26/h1-8H,9-10H2,(H,20,22)(H,23,24) |
| InChIK | FJIRQMQZVSXXMD-UHFFFAOYSA-N |
| TotalMolweight | 423.832 |
| Molweight | 423.832 |
| MonoisotopicMass | 423.029184 |
| CLogP | 2.1588 |
| CLogS | -5.252 |
| H Acceptors | 9 |
| H Donors | 2 |
| TotalSurfaceArea | 305.19 |
| Relative PSA | 0.39339 |
| PolarSurfaceArea | 159.11 |
| Druglikeness | -0.30427 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.71429 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 9 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 6 |
| Symmetricatoms | 2 |
| AcidicOxygens | 2 |
| StereoCon |
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1 - 2-[2-chloro-4-[(Z)-[[2-(4-nitrophenyl)sulfanylacetyl]hydrazinylidene]methyl]phenoxy]acetic acid | 2 - 2-[2-chloro-4-[(Z)-[[2-(4-nitrophenyl)sulfanylacetyl]hydrazinylidene]methyl]phenoxy]acetic acid
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