N-[(Z)-(5-bromothiophen-2-yl)methylideneamino]-4-fluorobenzamide
Molecular Formula : C12H8N2OBrFS | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |N-[(Z)-(5-bromothiophen-2-yl)methylideneamino]-4-fluorobenzamide is a drug-like molecule.
MolName : N-[(Z)-(5-bromothiophen-2-yl)methylideneamino]-4-fluorobenzamide |
MolecularFormula : C12H8N2OBrFS |
Smiles : O=C(c(cc1)ccc1F)N/N=C\c(s1)ccc1Br |
InChI : InChI=1S/C12H8BrFN2OS/c13-11-6-5-10(18-11)7-15-16-12(17)8-1-3-9(14)4-2-8/h1-7H,(H,16,17) |
InChIK : CPPHBGJAUWFOKM-UHFFFAOYSA-N |
TotalMolweight : 327.177 |
Molweight : 327.177 |
MonoisotopicMass : 325.952472 |
CLogP : 4.0989 |
CLogS : -4.896 |
H Acceptors : 3 |
H Donors : 1 |
TotalSurfaceArea : 207.91 |
Relative PSA : 0.27113 |
PolarSurfaceArea : 69.7 |
Druglikeness : 0.92743 |
Mutagenic : none |
Tumorigenic : none |
Reproductive Effective : none |
Irritant : none |
Nasty Functions : acyl-hydrazone; imine/hydrazone of aldehyde |
Shape Index : 0.72222 |
Fragments : 1 |
Non HAtoms : 18 |
NonCHAtoms : 6 |
Electronegative Atoms : 6 |
Rotatable Bond : 3 |
Rings Closures : 2 |
Small Rings : 2 |
Aromatic Rings : 2 |
Aromatic Atoms : 11 |
Symmetricatoms : 2 |
StereoCon : |