N-[(Z)-[2,4-bis(difluoromethoxy)phenyl]methylideneamino]-4-bromobenzamide
Molecular Formula : C16H11N2O3BrF4 | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |N-[(Z)-[2,4-bis(difluoromethoxy)phenyl]methylideneamino]-4-bromobenzamide is a drug-like molecule.
MolName : N-[(Z)-[2,4-bis(difluoromethoxy)phenyl]methylideneamino]-4-bromobenzamide |
MolecularFormula : C16H11N2O3BrF4 |
Smiles : O=C(c(cc1)ccc1Br)N/N=C\c(ccc(OC(F)F)c1)c1OC(F)F |
InChI : InChI=1S/C16H11BrF4N2O3/c17-11-4-1-9(2-5-11)14(24)23-22-8-10-3-6-12(25-15(18)19)7-13(10)26-16(20)21/h1-8,15-16H,(H,23,24) |
InChIK : VNDKJCQCWXMYHC-UHFFFAOYSA-N |
TotalMolweight : 435.17 |
Molweight : 435.17 |
MonoisotopicMass : 433.988916 |
CLogP : 4.2656 |
CLogS : -5.799 |
H Acceptors : 5 |
H Donors : 1 |
TotalSurfaceArea : 276.02 |
Relative PSA : 0.20292 |
PolarSurfaceArea : 59.92 |
Druglikeness : -0.25945 |
Mutagenic : none |
Tumorigenic : none |
Reproductive Effective : none |
Irritant : none |
Nasty Functions : acyl-hydrazone; imine/hydrazone of aldehyde |
Shape Index : 0.61538 |
Fragments : 1 |
Non HAtoms : 26 |
NonCHAtoms : 10 |
Electronegative Atoms : 10 |
Rotatable Bond : 7 |
Rings Closures : 2 |
Small Rings : 2 |
Aromatic Rings : 2 |
Aromatic Atoms : 12 |
Sp3Atoms : 4 |
Symmetricatoms : 4 |
StereoCon : |