[2,4-dibromo-6-[(E)-2-nitroethenyl]phenyl] 4-nitrobenzoate
Molecular Formula : C15H8N2O6Br2 | Mutagenic : none | Tumorigenic : none | Reproductive Effective : high |[2,4-dibromo-6-[(E)-2-nitroethenyl]phenyl] 4-nitrobenzoate is a drug-like molecule.
MolName : [2,4-dibromo-6-[(E)-2-nitroethenyl]phenyl] 4-nitrobenzoate |
MolecularFormula : C15H8N2O6Br2 |
Smiles : [O-][N+](/C=C/c1cc(Br)cc(Br)c1OC(c(cc1)ccc1[N+]([O-])=O)=O)=O |
InChI : InChI=1S/C15H8Br2N2O6/c16-11-7-10(5-6-18(21)22)14(13(17)8-11)25-15(20)9-1-3-12(4-2-9)19(23)24/h1-8H |
InChIK : BPCPBIBUQPPZNI-UHFFFAOYSA-N |
TotalMolweight : 472.045 |
Molweight : 472.045 |
MonoisotopicMass : 469.87491 |
CLogP : 2.7291 |
CLogS : -6.224 |
H Acceptors : 8 |
TotalSurfaceArea : 271.87 |
Relative PSA : 0.30853 |
PolarSurfaceArea : 117.94 |
Druglikeness : -8.2221 |
Mutagenic : none |
Tumorigenic : none |
Reproductive Effective : high |
Irritant : none |
Nasty Functions : aromatic nitro |
Shape Index : 0.56 |
Fragments : 1 |
Non HAtoms : 25 |
NonCHAtoms : 10 |
Electronegative Atoms : 10 |
Rotatable Bond : 6 |
Rings Closures : 2 |
Small Rings : 2 |
Aromatic Rings : 2 |
Aromatic Atoms : 12 |
Sp3Atoms : 3 |
Symmetricatoms : 2 |
AcidicOxygens : 2 |
StereoCon : |