(3E)-3-(1,3-benzodioxol-5-ylmethylidene)-9-oxo-1,2-dihydropyrrolo[2,1-b]quinazoline-6-carboxylic acid

Formula:C20H14N2O5 Mutagenic:none Tumorigenic:none Reproductive Effective:high (3E)-3-(1,3-benzodioxol-5-ylmethylidene)-9-oxo-1,2-dihydropyrrolo[2,1-b]quinazoline-6-carboxylic acid is a drug-like molecule.

MolName	(3E)-3-(1,3-benzodioxol-5-ylmethylidene)-9-oxo-1,2-dihydropyrrolo[2,1-b]quinazoline-6-carboxylic acid
MolecularFormula	C20H14N2O5
Smiles	OC(c(cc1)cc(N=C2N3CC/C2=C\c(cc2)cc4c2OCO4)c1C3=O)=O
InChI	InChI=1S/C20H14N2O5/c23-19-14-3-2-13(20(24)25)9-15(14)21-18-12(5-6-22(18)19)7-11-1-4-16-17(8-11)27-10-26-16/h1-4,7-9H,5-6,10H2,(H,24,25)
InChIK	ARVRUKSFHSBNLP-UHFFFAOYSA-N
TotalMolweight	362.34
Molweight	362.34
MonoisotopicMass	362.090273
CLogP	2.5906
CLogS	-4.177
H Acceptors	7
H Donors	1
TotalSurfaceArea	253.63
Relative PSA	0.29271
PolarSurfaceArea	88.43
Druglikeness	3.7617
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions
Shape Index	0.51852
Fragments	1
Non HAtoms	27
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	2
Rings Closures	5
Small Rings	5
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	6
Amides	1
AcidicOxygens	1
StereoCon

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