(E)-4-[[2-carbamoyl-5-(4-chlorophenyl)thiophen-3-yl]amino]-4-oxobut-2-enoic acid
Molecular Formula : C15H11N2O4ClS | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |(E)-4-[[2-carbamoyl-5-(4-chlorophenyl)thiophen-3-yl]amino]-4-oxobut-2-enoic acid is a drug-like molecule.
MolName : (E)-4-[[2-carbamoyl-5-(4-chlorophenyl)thiophen-3-yl]amino]-4-oxobut-2-enoic acid |
MolecularFormula : C15H11N2O4ClS |
Smiles : NC(c(sc(-c(cc1)ccc1Cl)c1)c1NC(/C=C/C(O)=O)=O)=O |
InChI : InChI=1S/C15H11ClN2O4S/c16-9-3-1-8(2-4-9)11-7-10(14(23-11)15(17)22)18-12(19)5-6-13(20)21/h1-7H,(H2,17,22)(H,18,19)(H,20,21) |
InChIK : BABSHXLTCZFKHW-UHFFFAOYSA-N |
TotalMolweight : 350.781 |
Molweight : 350.781 |
MonoisotopicMass : 350.012805 |
CLogP : 2.2018 |
CLogS : -4.687 |
H Acceptors : 6 |
H Donors : 3 |
TotalSurfaceArea : 250.46 |
Relative PSA : 0.39651 |
PolarSurfaceArea : 137.73 |
Druglikeness : 3.7496 |
Mutagenic : none |
Tumorigenic : none |
Reproductive Effective : none |
Irritant : none |
Nasty Functions : |
Shape Index : 0.6087 |
Fragments : 1 |
Non HAtoms : 23 |
NonCHAtoms : 8 |
Electronegative Atoms : 8 |
Rotatable Bond : 5 |
Rings Closures : 2 |
Small Rings : 2 |
Aromatic Rings : 2 |
Aromatic Atoms : 11 |
Sp3Atoms : 1 |
Symmetricatoms : 2 |
Amides : 2 |
AcidicOxygens : 1 |
StereoCon : |