2-[[5-nitro-2-[(2E)-2-[(2-nitrophenyl)methylidene]hydrazinyl]phenyl]sulfonylamino]benzoic acid
Formula:C20H15N5O8S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[[5-nitro-2-[(2E)-2-[(2-nitrophenyl)methylidene]hydrazinyl]phenyl]sulfonylamino]benzoic acid is not a drug-like molecule.
| MolName | 2-[[5-nitro-2-[(2E)-2-[(2-nitrophenyl)methylidene]hydrazinyl]phenyl]sulfonylamino]benzoic acid |
| MolecularFormula | C20H15N5O8S |
| Smiles | [O-][N+](c(cc1)cc(S(Nc(cccc2)c2C(O)=O)(=O)=O)c1N/N=C/c(cccc1)c1[N+]([O-])=O)=O |
| InChI | InChI=1S/C20H15N5O8S/c26-20(27)15-6-2-3-7-16(15)23-34(32,33)19-11-14(24(28)29)9-10-17(19)22-21-12-13-5-1-4-8-18(13)25(30)31/h1-12,22-23H,(H,26,27) |
| InChIK | TUAMOBCMQDXNON-UHFFFAOYSA-N |
| TotalMolweight | 485.432 |
| Molweight | 485.432 |
| MonoisotopicMass | 485.064135 |
| CLogP | 2.7819 |
| CLogS | -5.415 |
| H Acceptors | 13 |
| H Donors | 3 |
| TotalSurfaceArea | 340.48 |
| Relative PSA | 0.44053 |
| PolarSurfaceArea | 207.88 |
| Druglikeness | -4.8245 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde |
| Shape Index | 0.44118 |
| Fragments | 1 |
| Non HAtoms | 34 |
| NonCHAtoms | 14 |
| Electronegative Atoms | 14 |
| Rotatable Bond | 8 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 4 |
| Symmetricatoms | 1 |
| Amides | 1 |
| AcidicOxygens | 3 |
| StereoCon |
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1 - 2-[[5-nitro-2-[(2E)-2-[(2-nitrophenyl)methylidene]hydrazinyl]phenyl]sulfonylamino]benzoic acid | 2 - 2-[[5-nitro-2-[(2E)-2-[(2-nitrophenyl)methylidene]hydrazinyl]phenyl]sulfonylamino]benzoic acid
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