(3E)-3-[(4-nitrophenyl)methylidene]-9-oxo-1,2-dihydropyrrolo[2,1-b]quinazoline-6-carboxylic acid

Formula:C19H13N3O5 Mutagenic:none Tumorigenic:none Reproductive Effective:none (3E)-3-[(4-nitrophenyl)methylidene]-9-oxo-1,2-dihydropyrrolo[2,1-b]quinazoline-6-carboxylic acid is a drug-like molecule.

MolName	(3E)-3-[(4-nitrophenyl)methylidene]-9-oxo-1,2-dihydropyrrolo[2,1-b]quinazoline-6-carboxylic acid
MolecularFormula	C19H13N3O5
Smiles	[O-][N+](c1ccc(/C=C(\CCN23)/C3=Nc(cc(cc3)C(O)=O)c3C2=O)cc1)=O
InChI	InChI=1S/C19H13N3O5/c23-18-15-6-3-13(19(24)25)10-16(15)20-17-12(7-8-21(17)18)9-11-1-4-14(5-2-11)22(26)27/h1-6,9-10H,7-8H2,(H,24,25)
InChIK	IDADMUVIKVETNP-UHFFFAOYSA-N
TotalMolweight	363.328
Molweight	363.328
MonoisotopicMass	363.085522
CLogP	1.5576
CLogS	-3.926
H Acceptors	8
H Donors	1
TotalSurfaceArea	257.04
Relative PSA	0.32937
PolarSurfaceArea	115.79
Druglikeness	-1.2431
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.55556
Fragments	1
Non HAtoms	27
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	3
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	4
Symmetricatoms	2
Amides	1
AcidicOxygens	2
StereoCon

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