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

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

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