2-[[2-[(2Z)-2-[(2,3-dichlorophenyl)methylidene]hydrazinyl]-5-nitrophenyl]sulfonylamino]benzoic acid
Formula:C20H14N4O6Cl2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[[2-[(2Z)-2-[(2,3-dichlorophenyl)methylidene]hydrazinyl]-5-nitrophenyl]sulfonylamino]benzoic acid is not a drug-like molecule.
| MolName | 2-[[2-[(2Z)-2-[(2,3-dichlorophenyl)methylidene]hydrazinyl]-5-nitrophenyl]sulfonylamino]benzoic acid |
| MolecularFormula | C20H14N4O6Cl2S |
| Smiles | [O-][N+](c(cc1)cc(S(Nc(cccc2)c2C(O)=O)(=O)=O)c1N/N=C\c1cccc(Cl)c1Cl)=O |
| InChI | InChI=1S/C20H14Cl2N4O6S/c21-15-6-3-4-12(19(15)22)11-23-24-17-9-8-13(26(29)30)10-18(17)33(31,32)25-16-7-2-1-5-14(16)20(27)28/h1-11,24-25H,(H,27,28) |
| InChIK | SBDHYQKXWKVMEQ-UHFFFAOYSA-N |
| TotalMolweight | 509.325 |
| Molweight | 509.325 |
| MonoisotopicMass | 508.00111 |
| CLogP | 4.9155 |
| CLogS | -6.427 |
| H Acceptors | 10 |
| H Donors | 3 |
| TotalSurfaceArea | 347.65 |
| Relative PSA | 0.34394 |
| PolarSurfaceArea | 162.06 |
| Druglikeness | -2.4285 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde |
| Shape Index | 0.45455 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 13 |
| Electronegative Atoms | 13 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Symmetricatoms | 1 |
| Amides | 1 |
| AcidicOxygens | 2 |
| StereoCon |
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1 - 2-[[2-[(2Z)-2-[(2,3-dichlorophenyl)methylidene]hydrazinyl]-5-nitrophenyl]sulfonylamino]benzoic acid | 2 - 2-[[2-[(2Z)-2-[(2,3-dichlorophenyl)methylidene]hydrazinyl]-5-nitrophenyl]sulfonylamino]benzoic acid
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