[(Z)-[(4-chlorophenyl)sulfonyl-cyanomethylidene]amino] 4-chlorobenzoate
Molecular Formula : C15H8N2O4Cl2S | Mutagenic : high | Tumorigenic : high | Reproductive Effective : none |[(Z)-[(4-chlorophenyl)sulfonyl-cyanomethylidene]amino] 4-chlorobenzoate is a drug-like molecule.
MolName : [(Z)-[(4-chlorophenyl)sulfonyl-cyanomethylidene]amino] 4-chlorobenzoate |
MolecularFormula : C15H8N2O4Cl2S |
Smiles : N#C/C(/S(c(cc1)ccc1Cl)(=O)=O)=N/OC(c(cc1)ccc1Cl)=O |
InChI : InChI=1S/C15H8Cl2N2O4S/c16-11-3-1-10(2-4-11)15(20)23-19-14(9-18)24(21,22)13-7-5-12(17)6-8-13/h1-8H |
InChIK : SUXMEZFPHHJYPT-UHFFFAOYSA-N |
TotalMolweight : 383.211 |
Molweight : 383.211 |
MonoisotopicMass : 381.958182 |
CLogP : 2.8177 |
CLogS : -4.866 |
H Acceptors : 6 |
TotalSurfaceArea : 264.87 |
Relative PSA : 0.28954 |
PolarSurfaceArea : 104.97 |
Druglikeness : -4.2248 |
Mutagenic : high |
Tumorigenic : high |
Reproductive Effective : none |
Irritant : none |
Nasty Functions : |
Shape Index : 0.625 |
Fragments : 1 |
Non HAtoms : 24 |
NonCHAtoms : 9 |
Electronegative Atoms : 9 |
Rotatable Bond : 5 |
Rings Closures : 2 |
Small Rings : 2 |
Aromatic Rings : 2 |
Aromatic Atoms : 12 |
Sp3Atoms : 2 |
Symmetricatoms : 5 |
StereoCon : |