(3E)-3-[(4-bromophenyl)methylidene]-1,2-dihydropyrrolo[2,1-b]quinazolin-9-one
Molecular Formula : C18H13N2OBr | Mutagenic : none | Tumorigenic : none | Reproductive Effective : low |(3E)-3-[(4-bromophenyl)methylidene]-1,2-dihydropyrrolo[2,1-b]quinazolin-9-one is a drug-like molecule.
MolName : (3E)-3-[(4-bromophenyl)methylidene]-1,2-dihydropyrrolo[2,1-b]quinazolin-9-one |
MolecularFormula : C18H13N2OBr |
Smiles : O=C1N(CC/C2=C\c(cc3)ccc3Br)C2=Nc2c1cccc2 |
InChI : InChI=1S/C18H13BrN2O/c19-14-7-5-12(6-8-14)11-13-9-10-21-17(13)20-16-4-2-1-3-15(16)18(21)22/h1-8,11H,9-10H2 |
InChIK : HPRXYXQHOXJMCR-UHFFFAOYSA-N |
TotalMolweight : 353.218 |
Molweight : 353.218 |
MonoisotopicMass : 352.021124 |
CLogP : 3.7193 |
CLogS : -4.287 |
H Acceptors : 3 |
TotalSurfaceArea : 227.9 |
Relative PSA : 0.1233 |
PolarSurfaceArea : 32.67 |
Druglikeness : 2.1185 |
Mutagenic : none |
Tumorigenic : none |
Reproductive Effective : low |
Irritant : none |
Nasty Functions : |
Shape Index : 0.59091 |
Fragments : 1 |
Non HAtoms : 22 |
NonCHAtoms : 4 |
Electronegative Atoms : 4 |
Rotatable Bond : 1 |
Rings Closures : 4 |
Small Rings : 4 |
Aromatic Rings : 2 |
Aromatic Atoms : 12 |
Sp3Atoms : 2 |
Symmetricatoms : 2 |
Amides : 1 |
StereoCon : |