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

Formula:C20H14N2O4F2 Mutagenic:none Tumorigenic:none Reproductive Effective:high (3E)-3-[[4-(difluoromethoxy)phenyl]methylidene]-9-oxo-1,2-dihydropyrrolo[2,1-b]quinazoline-6-carboxylic acid is a drug-like molecule.

MolName	(3E)-3-[[4-(difluoromethoxy)phenyl]methylidene]-9-oxo-1,2-dihydropyrrolo[2,1-b]quinazoline-6-carboxylic acid
MolecularFormula	C20H14N2O4F2
Smiles	OC(c(cc1)cc(N=C2N3CC/C2=C\c(cc2)ccc2OC(F)F)c1C3=O)=O
InChI	InChI=1S/C20H14F2N2O4/c21-20(22)28-14-4-1-11(2-5-14)9-12-7-8-24-17(12)23-16-10-13(19(26)27)3-6-15(16)18(24)25/h1-6,9-10,20H,7-8H2,(H,26,27)
InChIK	BMWDXHGSVUDDRM-UHFFFAOYSA-N
TotalMolweight	384.337
Molweight	384.337
MonoisotopicMass	384.092164
CLogP	2.6486
CLogS	-4.088
H Acceptors	6
H Donors	1
TotalSurfaceArea	268.57
Relative PSA	0.23919
PolarSurfaceArea	79.2
Druglikeness	0.99333
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions
Shape Index	0.57143
Fragments	1
Non HAtoms	28
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	4
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	5
Symmetricatoms	3
Amides	1
AcidicOxygens	1
StereoCon

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