N-[(Z)-(2-fluorophenyl)methylideneamino]-1,1-dioxo-1,2-benzothiazol-3-amine
Formula:C14H10N3O2FS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(2-fluorophenyl)methylideneamino]-1,1-dioxo-1,2-benzothiazol-3-amine is a drug-like molecule.
| MolName | N-[(Z)-(2-fluorophenyl)methylideneamino]-1,1-dioxo-1,2-benzothiazol-3-amine |
| MolecularFormula | C14H10N3O2FS |
| Smiles | O=S(c1c2cccc1)(N=C2N/N=C\c(cccc1)c1F)=O |
| InChI | InChI=1S/C14H10FN3O2S/c15-12-7-3-1-5-10(12)9-16-17-14-11-6-2-4-8-13(11)21(19,20)18-14/h1-9H,(H,17,18) |
| InChIK | DBMDKEZWYKGNKU-UHFFFAOYSA-N |
| TotalMolweight | 303.316 |
| Molweight | 303.316 |
| MonoisotopicMass | 303.047775 |
| CLogP | 2.9403 |
| CLogS | -4.041 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 213.64 |
| Relative PSA | 0.29517 |
| PolarSurfaceArea | 79.27 |
| Druglikeness | 1.7812 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.57143 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 1 |
| BasicNitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - N-[(Z)-(2-fluorophenyl)methylideneamino]-1,1-dioxo-1,2-benzothiazol-3-amine | 2 - N-[(Z)-(2-fluorophenyl)methylideneamino]-1,1-dioxo-1,2-benzothiazol-3-amine
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off