(E)-3-(2-bromo-4-nitroanilino)-1-(4-bromophenyl)prop-2-en-1-one
Molecular Formula : C15H10N2O3Br2 | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |(E)-3-(2-bromo-4-nitroanilino)-1-(4-bromophenyl)prop-2-en-1-one is a drug-like molecule.
MolName : (E)-3-(2-bromo-4-nitroanilino)-1-(4-bromophenyl)prop-2-en-1-one |
MolecularFormula : C15H10N2O3Br2 |
Smiles : [O-][N+](c(cc1)cc(Br)c1N/C=C/C(c(cc1)ccc1Br)=O)=O |
InChI : InChI=1S/C15H10Br2N2O3/c16-11-3-1-10(2-4-11)15(20)7-8-18-14-6-5-12(19(21)22)9-13(14)17/h1-9,18H |
InChIK : FIKACGORPWFUKK-UHFFFAOYSA-N |
TotalMolweight : 426.063 |
Molweight : 426.063 |
MonoisotopicMass : 423.905815 |
CLogP : 3.0033 |
CLogS : -5.914 |
H Acceptors : 5 |
H Donors : 1 |
TotalSurfaceArea : 249.66 |
Relative PSA : 0.21998 |
PolarSurfaceArea : 74.92 |
Druglikeness : -6.3725 |
Mutagenic : none |
Tumorigenic : none |
Reproductive Effective : none |
Irritant : none |
Nasty Functions : aromatic nitro |
Shape Index : 0.68182 |
Fragments : 1 |
Non HAtoms : 22 |
NonCHAtoms : 7 |
Electronegative Atoms : 7 |
Rotatable Bond : 5 |
Rings Closures : 2 |
Small Rings : 2 |
Aromatic Rings : 2 |
Aromatic Atoms : 12 |
Sp3Atoms : 1 |
Symmetricatoms : 2 |
AcidicOxygens : 1 |
StereoCon : |