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

Formula:C21H14N2O5F4 Mutagenic:none Tumorigenic:none Reproductive Effective:high (3Z)-3-[[2,4-bis(difluoromethoxy)phenyl]methylidene]-9-oxo-1,2-dihydropyrrolo[2,1-b]quinazoline-6-carboxylic acid is a drug-like molecule.

MolName	(3Z)-3-[[2,4-bis(difluoromethoxy)phenyl]methylidene]-9-oxo-1,2-dihydropyrrolo[2,1-b]quinazoline-6-carboxylic acid
MolecularFormula	C21H14N2O5F4
Smiles	OC(c(cc1)cc(N=C2N3CC/C2=C/c(ccc(OC(F)F)c2)c2OC(F)F)c1C3=O)=O
InChI	InChI=1S/C21H14F4N2O5/c22-20(23)31-13-3-1-10(16(9-13)32-21(24)25)7-11-5-6-27-17(11)26-15-8-12(19(29)30)2-4-14(15)18(27)28/h1-4,7-9,20-21H,5-6H2,(H,29,30)
InChIK	MWHNPBWBFAHFAX-UHFFFAOYSA-N
TotalMolweight	450.343
Molweight	450.343
MonoisotopicMass	450.083885
CLogP	2.818
CLogS	-4.71
H Acceptors	7
H Donors	1
TotalSurfaceArea	303.77
Relative PSA	0.2444
PolarSurfaceArea	88.43
Druglikeness	0.99333
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions
Shape Index	0.5
Fragments	1
Non HAtoms	32
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	6
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	7
Symmetricatoms	2
Amides	1
AcidicOxygens	1
StereoCon

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

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