(NZ)-N-[3-(4-hydroxyanilino)-4-oxonaphthalen-1-ylidene]thiophene-2-sulfonamide
Formula:C20H14N2O4S2
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
(NZ)-N-[3-(4-hydroxyanilino)-4-oxonaphthalen-1-ylidene]thiophene-2-sulfonamide is a drug-like molecule.
| MolName | (NZ)-N-[3-(4-hydroxyanilino)-4-oxonaphthalen-1-ylidene]thiophene-2-sulfonamide |
| MolecularFormula | C20H14N2O4S2 |
| Smiles | Oc(cc1)ccc1NC(C(c1c2cccc1)=O)=C/C2=N/S(c1cccs1)(=O)=O |
| InChI | InChI=1S/C20H14N2O4S2/c23-14-9-7-13(8-10-14)21-18-12-17(15-4-1-2-5-16(15)20(18)24)22-28(25,26)19-6-3-11-27-19/h1-12,21,23H |
| InChIK | YXKCWSSSTBYFQS-UHFFFAOYSA-N |
| TotalMolweight | 410.473 |
| Molweight | 410.473 |
| MonoisotopicMass | 410.039498 |
| CLogP | 3.448 |
| CLogS | -4.985 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 287.04 |
| Relative PSA | 0.34159 |
| PolarSurfaceArea | 132.45 |
| Druglikeness | 1.7171 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 2 |
| Symmetricatoms | 3 |
| BasicNitrogens | 1 |
| StereoCon |
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