(NZ)-N-[3-(4-hydroxyanilino)-4-oxonaphthalen-1-ylidene]benzenesulfonamide
Formula:C22H16N2O4S
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
(NZ)-N-[3-(4-hydroxyanilino)-4-oxonaphthalen-1-ylidene]benzenesulfonamide is a drug-like molecule.
| MolName | (NZ)-N-[3-(4-hydroxyanilino)-4-oxonaphthalen-1-ylidene]benzenesulfonamide |
| MolecularFormula | C22H16N2O4S |
| Smiles | Oc(cc1)ccc1NC(C(c1c2cccc1)=O)=C/C2=N/S(c1ccccc1)(=O)=O |
| InChI | InChI=1S/C22H16N2O4S/c25-16-12-10-15(11-13-16)23-21-14-20(18-8-4-5-9-19(18)22(21)26)24-29(27,28)17-6-2-1-3-7-17/h1-14,23,25H |
| InChIK | MJPZGOIILZCSLY-UHFFFAOYSA-N |
| TotalMolweight | 404.445 |
| Molweight | 404.445 |
| MonoisotopicMass | 404.083078 |
| CLogP | 3.4589 |
| CLogS | -5.068 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 291.1 |
| Relative PSA | 0.26688 |
| PolarSurfaceArea | 104.21 |
| Druglikeness | -5.8022 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.51724 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Symmetricatoms | 5 |
| BasicNitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - (NZ)-N-[3-(4-hydroxyanilino)-4-oxonaphthalen-1-ylidene]benzenesulfonamide | 2 - (NZ)-N-[3-(4-hydroxyanilino)-4-oxonaphthalen-1-ylidene]benzenesulfonamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off