(E)-3-[3-[(4-nitrophenoxy)sulfonylamino]phenyl]prop-2-enoic acid
Formula:C15H12N2O7S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3-[3-[(4-nitrophenoxy)sulfonylamino]phenyl]prop-2-enoic acid is a drug-like molecule.
| MolName | (E)-3-[3-[(4-nitrophenoxy)sulfonylamino]phenyl]prop-2-enoic acid |
| MolecularFormula | C15H12N2O7S |
| Smiles | [O-][N+](c(cc1)ccc1OS(Nc1cc(/C=C/C(O)=O)ccc1)(=O)=O)=O |
| InChI | InChI=1S/C15H12N2O7S/c18-15(19)9-4-11-2-1-3-12(10-11)16-25(22,23)24-14-7-5-13(6-8-14)17(20)21/h1-10,16H,(H,18,19) |
| InChIK | VABCCOQHQMOIMQ-UHFFFAOYSA-N |
| TotalMolweight | 364.333 |
| Molweight | 364.333 |
| MonoisotopicMass | 364.036523 |
| CLogP | 1.119 |
| CLogS | -4.214 |
| H Acceptors | 9 |
| H Donors | 2 |
| TotalSurfaceArea | 257.33 |
| Relative PSA | 0.41425 |
| PolarSurfaceArea | 146.9 |
| Druglikeness | -9.5462 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.64 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| Symmetricatoms | 3 |
| Amides | 1 |
| AcidicOxygens | 2 |
| StereoCon |
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