(3E)-3-[[2,4-bis(difluoromethoxy)phenyl]methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylic acid

Formula:C22H15NO4F4 Mutagenic:none Tumorigenic:none Reproductive Effective:high (3E)-3-[[2,4-bis(difluoromethoxy)phenyl]methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylic acid is a drug-like molecule.

MolName	(3E)-3-[[2,4-bis(difluoromethoxy)phenyl]methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylic acid
MolecularFormula	C22H15NO4F4
Smiles	OC(c1c(CC/C2=C\c(ccc(OC(F)F)c3)c3OC(F)F)c2nc2ccccc12)=O
InChI	InChI=1S/C22H15F4NO4/c23-21(24)30-13-7-5-11(17(10-13)31-22(25)26)9-12-6-8-15-18(20(28)29)14-3-1-2-4-16(14)27-19(12)15/h1-5,7,9-10,21-22H,6,8H2,(H,28,29)
InChIK	HNSNBKGDGXWTHN-UHFFFAOYSA-N
TotalMolweight	433.356
Molweight	433.356
MonoisotopicMass	433.093721
CLogP	4.1651
CLogS	-5.787
H Acceptors	5
H Donors	1
TotalSurfaceArea	299.61
Relative PSA	0.19061
PolarSurfaceArea	68.65
Druglikeness	-3.9335
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions
Shape Index	0.48387
Fragments	1
Non HAtoms	31
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	6
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	16
Sp3Atoms	7
Symmetricatoms	2
Aromatic Nitrogens	1
AcidicOxygens	1
StereoCon

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