4-bromo-N-[(E)-(5-hydroxy-2-nitrophenyl)methylideneamino]benzamide
Molecular Formula : C14H10N3O4Br | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |4-bromo-N-[(E)-(5-hydroxy-2-nitrophenyl)methylideneamino]benzamide is a drug-like molecule.
MolName : 4-bromo-N-[(E)-(5-hydroxy-2-nitrophenyl)methylideneamino]benzamide |
MolecularFormula : C14H10N3O4Br |
Smiles : [O-][N+](c(cc1)c(/C=N/NC(c(cc2)ccc2Br)=O)cc1O)=O |
InChI : InChI=1S/C14H10BrN3O4/c15-11-3-1-9(2-4-11)14(20)17-16-8-10-7-12(19)5-6-13(10)18(21)22/h1-8,19H,(H,17,20) |
InChIK : LJVLIDRYOZCHIP-UHFFFAOYSA-N |
TotalMolweight : 364.154 |
Molweight : 364.154 |
MonoisotopicMass : 362.985468 |
CLogP : 2.6595 |
CLogS : -4.719 |
H Acceptors : 7 |
H Donors : 2 |
TotalSurfaceArea : 235.64 |
Relative PSA : 0.33751 |
PolarSurfaceArea : 107.51 |
Druglikeness : -2.5702 |
Mutagenic : none |
Tumorigenic : none |
Reproductive Effective : none |
Irritant : none |
Nasty Functions : aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
Shape Index : 0.59091 |
Fragments : 1 |
Non HAtoms : 22 |
NonCHAtoms : 8 |
Electronegative Atoms : 8 |
Rotatable Bond : 4 |
Rings Closures : 2 |
Small Rings : 2 |
Aromatic Rings : 2 |
Aromatic Atoms : 12 |
Sp3Atoms : 2 |
Symmetricatoms : 2 |
AcidicOxygens : 1 |
StereoCon : |