[(E)-[amino-[3-(4-chlorophenyl)sulfanylpyrazin-2-yl]methylidene]amino] 4-chlorobenzoate
Formula:C18H12N4O2Cl2S
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
[(E)-[amino-[3-(4-chlorophenyl)sulfanylpyrazin-2-yl]methylidene]amino] 4-chlorobenzoate is a drug-like molecule.
| MolName | [(E)-[amino-[3-(4-chlorophenyl)sulfanylpyrazin-2-yl]methylidene]amino] 4-chlorobenzoate |
| MolecularFormula | C18H12N4O2Cl2S |
| Smiles | N/C(/c1nccnc1Sc(cc1)ccc1Cl)=N/OC(c(cc1)ccc1Cl)=O |
| InChI | InChI=1S/C18H12Cl2N4O2S/c19-12-3-1-11(2-4-12)18(25)26-24-16(21)15-17(23-10-9-22-15)27-14-7-5-13(20)6-8-14/h1-10H,(H2,21,24) |
| InChIK | URLXCKNJXYEYMW-UHFFFAOYSA-N |
| TotalMolweight | 419.291 |
| Molweight | 419.291 |
| MonoisotopicMass | 418.0058 |
| CLogP | 4.2548 |
| CLogS | -4.991 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 297.87 |
| Relative PSA | 0.29963 |
| PolarSurfaceArea | 115.76 |
| Druglikeness | -2.21 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.62963 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 2 |
| StereoCon |
Click to Load Molecule:
1 - [(E)-[amino-[3-(4-chlorophenyl)sulfanylpyrazin-2-yl]methylidene]amino] 4-chlorobenzoate | 2 - [(E)-[amino-[3-(4-chlorophenyl)sulfanylpyrazin-2-yl]methylidene]amino] 4-chlorobenzoate
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off