(3E)-3-[(3-nitrophenyl)methylidene]-1,2-dihydropyrrolo[2,1-b]quinazolin-9-one
Molecular Formula : C18H13N3O3 | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |(3E)-3-[(3-nitrophenyl)methylidene]-1,2-dihydropyrrolo[2,1-b]quinazolin-9-one is a drug-like molecule.
MolName : (3E)-3-[(3-nitrophenyl)methylidene]-1,2-dihydropyrrolo[2,1-b]quinazolin-9-one |
MolecularFormula : C18H13N3O3 |
Smiles : [O-][N+](c1cc(/C=C(\CCN23)/C3=Nc(cccc3)c3C2=O)ccc1)=O |
InChI : InChI=1S/C18H13N3O3/c22-18-15-6-1-2-7-16(15)19-17-13(8-9-20(17)18)10-12-4-3-5-14(11-12)21(23)24/h1-7,10-11H,8-9H2 |
InChIK : XIQBVHOTWVNRBA-UHFFFAOYSA-N |
TotalMolweight : 319.319 |
Molweight : 319.319 |
MonoisotopicMass : 319.095692 |
CLogP : 2.0725 |
CLogS : -3.913 |
H Acceptors : 6 |
TotalSurfaceArea : 232.94 |
Relative PSA : 0.25122 |
PolarSurfaceArea : 78.49 |
Druglikeness : -1.1743 |
Mutagenic : none |
Tumorigenic : none |
Reproductive Effective : none |
Irritant : none |
Nasty Functions : aromatic nitro |
Shape Index : 0.54167 |
Fragments : 1 |
Non HAtoms : 24 |
NonCHAtoms : 6 |
Electronegative Atoms : 6 |
Rotatable Bond : 2 |
Rings Closures : 4 |
Small Rings : 4 |
Aromatic Rings : 2 |
Aromatic Atoms : 12 |
Sp3Atoms : 3 |
Amides : 1 |
AcidicOxygens : 1 |
StereoCon : |