(NZ)-4-chloro-N-[4-oxo-3-(1H-1,2,4-triazol-5-ylsulfanyl)naphthalen-1-ylidene]benzenesulfonamide
Formula:C18H11N4O3ClS2
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
(NZ)-4-chloro-N-[4-oxo-3-(1H-1,2,4-triazol-5-ylsulfanyl)naphthalen-1-ylidene]benzenesulfonamide is a drug-like molecule.
| MolName | (NZ)-4-chloro-N-[4-oxo-3-(1H-1,2,4-triazol-5-ylsulfanyl)naphthalen-1-ylidene]benzenesulfonamide |
| MolecularFormula | C18H11N4O3ClS2 |
| Smiles | O=C(c1c2cccc1)C(Sc1ncn[nH]1)=C/C2=N/S(c(cc1)ccc1Cl)(=O)=O |
| InChI | InChI=1S/C18H11ClN4O3S2/c19-11-5-7-12(8-6-11)28(25,26)23-15-9-16(27-18-20-10-21-22-18)17(24)14-4-2-1-3-13(14)15/h1-10H,(H,20,21,22) |
| InChIK | WGWYBMRNSNBHIT-UHFFFAOYSA-N |
| TotalMolweight | 430.895 |
| Molweight | 430.895 |
| MonoisotopicMass | 429.996108 |
| CLogP | 3.1066 |
| CLogS | -5.391 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 293.29 |
| Relative PSA | 0.36329 |
| PolarSurfaceArea | 138.82 |
| Druglikeness | 3.891 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 2 |
| Symmetricatoms | 3 |
| Aromatic Nitrogens | 3 |
| BasicNitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - (NZ)-4-chloro-N-[4-oxo-3-(1H-1,2,4-triazol-5-ylsulfanyl)naphthalen-1-ylidene]benzenesulfonamide | 2 - (NZ)-4-chloro-N-[4-oxo-3-(1H-1,2,4-triazol-5-ylsulfanyl)naphthalen-1-ylidene]benzenesulfonamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off