4-bromo-N-[(E)-(2,4-dibromo-5-hydroxyphenyl)methylideneamino]benzamide
Molecular Formula : C14H9N2O2Br3 | Mutagenic : none | Tumorigenic : none | Reproductive Effective : high |4-bromo-N-[(E)-(2,4-dibromo-5-hydroxyphenyl)methylideneamino]benzamide is not a drug-like molecule.
MolName : 4-bromo-N-[(E)-(2,4-dibromo-5-hydroxyphenyl)methylideneamino]benzamide |
MolecularFormula : C14H9N2O2Br3 |
Smiles : Oc(cc(/C=N/NC(c(cc1)ccc1Br)=O)c(Br)c1)c1Br |
InChI : InChI=1S/C14H9Br3N2O2/c15-10-3-1-8(2-4-10)14(21)19-18-7-9-5-13(20)12(17)6-11(9)16/h1-7,20H,(H,19,21) |
InChIK : FVCJDHWBIIMTME-UHFFFAOYSA-N |
TotalMolweight : 476.949 |
Molweight : 476.949 |
MonoisotopicMass : 473.821411 |
CLogP : 5.0315 |
CLogS : -5.927 |
H Acceptors : 4 |
H Donors : 2 |
TotalSurfaceArea : 249.23 |
Relative PSA : 0.19705 |
PolarSurfaceArea : 61.69 |
Druglikeness : 2.6304 |
Mutagenic : none |
Tumorigenic : none |
Reproductive Effective : high |
Irritant : none |
Nasty Functions : acyl-hydrazone; imine/hydrazone of aldehyde |
Shape Index : 0.66667 |
Fragments : 1 |
Non HAtoms : 21 |
NonCHAtoms : 7 |
Electronegative Atoms : 7 |
Rotatable Bond : 3 |
Rings Closures : 2 |
Small Rings : 2 |
Aromatic Rings : 2 |
Aromatic Atoms : 12 |
Sp3Atoms : 1 |
Symmetricatoms : 2 |
StereoCon : |