[(E)-(3-oxo-1-benzothiophen-2-ylidene)amino] 2-bromobenzoate
Formula:C15H8NO3BrS
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
[(E)-(3-oxo-1-benzothiophen-2-ylidene)amino] 2-bromobenzoate is a drug-like molecule.
| MolName | [(E)-(3-oxo-1-benzothiophen-2-ylidene)amino] 2-bromobenzoate |
| MolecularFormula | C15H8NO3BrS |
| Smiles | O=C(c(cccc1)c1Br)O/N=C1/Sc(cccc2)c2C1=O |
| InChI | InChI=1S/C15H8BrNO3S/c16-11-7-3-1-5-9(11)15(19)20-17-14-13(18)10-6-2-4-8-12(10)21-14/h1-8H |
| InChIK | MWWGWWNSCFQERE-UHFFFAOYSA-N |
| TotalMolweight | 362.203 |
| Molweight | 362.203 |
| MonoisotopicMass | 360.940825 |
| CLogP | 3.3478 |
| CLogS | -4.741 |
| H Acceptors | 4 |
| TotalSurfaceArea | 224.11 |
| Relative PSA | 0.29039 |
| PolarSurfaceArea | 81.03 |
| Druglikeness | -2.4249 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.57143 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| StereoCon |
Click to Load Molecule:
1 - [(E)-(3-oxo-1-benzothiophen-2-ylidene)amino] 2-bromobenzoate | 2 - [(E)-(3-oxo-1-benzothiophen-2-ylidene)amino] 2-bromobenzoate
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off