N-[(Z)-(5-bromofuran-2-yl)methylideneamino]-4-nitrobenzamide
Molecular Formula : C12H8N3O4Br | Mutagenic : high | Tumorigenic : high | Reproductive Effective : none |N-[(Z)-(5-bromofuran-2-yl)methylideneamino]-4-nitrobenzamide is a drug-like molecule.
MolName : N-[(Z)-(5-bromofuran-2-yl)methylideneamino]-4-nitrobenzamide |
MolecularFormula : C12H8N3O4Br |
Smiles : [O-][N+](c(cc1)ccc1C(N/N=C\c(o1)ccc1Br)=O)=O |
InChI : InChI=1S/C12H8BrN3O4/c13-11-6-5-10(20-11)7-14-15-12(17)8-1-3-9(4-2-8)16(18)19/h1-7H,(H,15,17) |
InChIK : WNMBDGSRNUOKLL-UHFFFAOYSA-N |
TotalMolweight : 338.117 |
Molweight : 338.117 |
MonoisotopicMass : 336.969818 |
CLogP : 2.2913 |
CLogS : -4.46 |
H Acceptors : 7 |
H Donors : 1 |
TotalSurfaceArea : 218.98 |
Relative PSA : 0.3678 |
PolarSurfaceArea : 100.42 |
Druglikeness : -1.92 |
Mutagenic : high |
Tumorigenic : high |
Reproductive Effective : none |
Irritant : none |
Nasty Functions : aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
Shape Index : 0.7 |
Fragments : 1 |
Non HAtoms : 20 |
NonCHAtoms : 8 |
Electronegative Atoms : 8 |
Rotatable Bond : 4 |
Rings Closures : 2 |
Small Rings : 2 |
Aromatic Rings : 2 |
Aromatic Atoms : 11 |
Sp3Atoms : 1 |
Symmetricatoms : 2 |
AcidicOxygens : 1 |
StereoCon : |