(3E)-3-[(4-bromophenyl)methylidene]-1,2-dihydropyrrolo[2,1-b]quinazolin-9-one

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

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