(5E)-2-amino-5-[[5-(4-chlorophenyl)furan-2-yl]methylidene]-1,3-thiazol-4-one
Molecular Formula : C14H9N2O2ClS | Mutagenic : high | Tumorigenic : high | Reproductive Effective : none |(5E)-2-amino-5-[[5-(4-chlorophenyl)furan-2-yl]methylidene]-1,3-thiazol-4-one is a drug-like molecule.
MolName : (5E)-2-amino-5-[[5-(4-chlorophenyl)furan-2-yl]methylidene]-1,3-thiazol-4-one |
MolecularFormula : C14H9N2O2ClS |
Smiles : NC(S/C1=C/c2ccc(-c(cc3)ccc3Cl)o2)=NC1=O |
InChI : InChI=1S/C14H9ClN2O2S/c15-9-3-1-8(2-4-9)11-6-5-10(19-11)7-12-13(18)17-14(16)20-12/h1-7H,(H2,16,17,18) |
InChIK : GCQHVQGASMWKHJ-UHFFFAOYSA-N |
TotalMolweight : 304.756 |
Molweight : 304.756 |
MonoisotopicMass : 304.007325 |
CLogP : 2.5429 |
CLogS : -5.485 |
H Acceptors : 4 |
H Donors : 1 |
TotalSurfaceArea : 216.07 |
Relative PSA : 0.33054 |
PolarSurfaceArea : 93.89 |
Druglikeness : 3.3226 |
Mutagenic : high |
Tumorigenic : high |
Reproductive Effective : none |
Irritant : none |
Nasty Functions : |
Shape Index : 0.65 |
Fragments : 1 |
Non HAtoms : 20 |
NonCHAtoms : 6 |
Electronegative Atoms : 6 |
Rotatable Bond : 2 |
Rings Closures : 3 |
Small Rings : 3 |
Aromatic Rings : 2 |
Aromatic Atoms : 11 |
Sp3Atoms : 1 |
Symmetricatoms : 2 |
BasicNitrogens : 1 |
StereoCon : |