[(Z)-[1-amino-3-(4-chlorophenyl)sulfonylpropylidene]amino] 4-chlorobenzoate
Molecular Formula : C16H14N2O4Cl2S | Mutagenic : high | Tumorigenic : high | Reproductive Effective : none |[(Z)-[1-amino-3-(4-chlorophenyl)sulfonylpropylidene]amino] 4-chlorobenzoate is a drug-like molecule.
MolName : [(Z)-[1-amino-3-(4-chlorophenyl)sulfonylpropylidene]amino] 4-chlorobenzoate |
MolecularFormula : C16H14N2O4Cl2S |
Smiles : N/C(/CCS(c(cc1)ccc1Cl)(=O)=O)=N\OC(c(cc1)ccc1Cl)=O |
InChI : InChI=1S/C16H14Cl2N2O4S/c17-12-3-1-11(2-4-12)16(21)24-20-15(19)9-10-25(22,23)14-7-5-13(18)6-8-14/h1-8H,9-10H2,(H2,19,20) |
InChIK : DFOCBHKGYUJQFB-UHFFFAOYSA-N |
TotalMolweight : 401.269 |
Molweight : 401.269 |
MonoisotopicMass : 400.005132 |
CLogP : 3.4761 |
CLogS : -5.389 |
H Acceptors : 6 |
H Donors : 1 |
TotalSurfaceArea : 279.2 |
Relative PSA : 0.2808 |
PolarSurfaceArea : 107.2 |
Druglikeness : -4.152 |
Mutagenic : high |
Tumorigenic : high |
Reproductive Effective : none |
Irritant : none |
Nasty Functions : |
Shape Index : 0.68 |
Fragments : 1 |
Non HAtoms : 25 |
NonCHAtoms : 9 |
Electronegative Atoms : 9 |
Rotatable Bond : 7 |
Rings Closures : 2 |
Small Rings : 2 |
Aromatic Rings : 2 |
Aromatic Atoms : 12 |
Sp3Atoms : 4 |
Symmetricatoms : 5 |
StereoCon : |