[(E)-[1-amino-2-(4-fluorophenyl)sulfonylethylidene]amino] 4-chlorobenzoate
Molecular Formula : C15H12N2O4ClFS | Mutagenic : high | Tumorigenic : high | Reproductive Effective : none |[(E)-[1-amino-2-(4-fluorophenyl)sulfonylethylidene]amino] 4-chlorobenzoate is a drug-like molecule.
MolName : [(E)-[1-amino-2-(4-fluorophenyl)sulfonylethylidene]amino] 4-chlorobenzoate |
MolecularFormula : C15H12N2O4ClFS |
Smiles : N/C(/CS(c(cc1)ccc1F)(=O)=O)=N/OC(c(cc1)ccc1Cl)=O |
InChI : InChI=1S/C15H12ClFN2O4S/c16-11-3-1-10(2-4-11)15(20)23-19-14(18)9-24(21,22)13-7-5-12(17)6-8-13/h1-8H,9H2,(H2,18,19) |
InChIK : PQQHRENZAQIELQ-UHFFFAOYSA-N |
TotalMolweight : 370.787 |
Molweight : 370.787 |
MonoisotopicMass : 370.019033 |
CLogP : 2.5165 |
CLogS : -4.697 |
H Acceptors : 6 |
H Donors : 1 |
TotalSurfaceArea : 256.37 |
Relative PSA : 0.30581 |
PolarSurfaceArea : 107.2 |
Druglikeness : -5.394 |
Mutagenic : high |
Tumorigenic : high |
Reproductive Effective : none |
Irritant : none |
Nasty Functions : |
Shape Index : 0.66667 |
Fragments : 1 |
Non HAtoms : 24 |
NonCHAtoms : 9 |
Electronegative Atoms : 9 |
Rotatable Bond : 6 |
Rings Closures : 2 |
Small Rings : 2 |
Aromatic Rings : 2 |
Aromatic Atoms : 12 |
Sp3Atoms : 3 |
Symmetricatoms : 5 |
StereoCon : |