4-bromo-N-[(Z)-thiophen-3-ylmethylideneamino]benzamide
Molecular Formula : C12H9N2OBrS | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |4-bromo-N-[(Z)-thiophen-3-ylmethylideneamino]benzamide is a drug-like molecule.
MolName : 4-bromo-N-[(Z)-thiophen-3-ylmethylideneamino]benzamide |
MolecularFormula : C12H9N2OBrS |
Smiles : O=C(c(cc1)ccc1Br)N/N=C\c1cscc1 |
InChI : InChI=1S/C12H9BrN2OS/c13-11-3-1-10(2-4-11)12(16)15-14-7-9-5-6-17-8-9/h1-8H,(H,15,16) |
InChIK : OCVBEPJPEXKFJG-UHFFFAOYSA-N |
TotalMolweight : 309.186 |
Molweight : 309.186 |
MonoisotopicMass : 307.961894 |
CLogP : 3.7112 |
CLogS : -4.455 |
H Acceptors : 3 |
H Donors : 1 |
TotalSurfaceArea : 201.56 |
Relative PSA : 0.27967 |
PolarSurfaceArea : 69.7 |
Druglikeness : 3.1276 |
Mutagenic : none |
Tumorigenic : none |
Reproductive Effective : none |
Irritant : none |
Nasty Functions : acyl-hydrazone; imine/hydrazone of aldehyde |
Shape Index : 0.70588 |
Fragments : 1 |
Non HAtoms : 17 |
NonCHAtoms : 5 |
Electronegative Atoms : 5 |
Rotatable Bond : 3 |
Rings Closures : 2 |
Small Rings : 2 |
Aromatic Rings : 2 |
Aromatic Atoms : 11 |
Symmetricatoms : 2 |
StereoCon : |