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

Formula:C20H13N2O3F3 Mutagenic:none Tumorigenic:none Reproductive Effective:none (3E)-9-oxo-3-[[3-(trifluoromethyl)phenyl]methylidene]-1,2-dihydropyrrolo[2,1-b]quinazoline-6-carboxylic acid is a drug-like molecule.

MolName	(3E)-9-oxo-3-[[3-(trifluoromethyl)phenyl]methylidene]-1,2-dihydropyrrolo[2,1-b]quinazoline-6-carboxylic acid
MolecularFormula	C20H13N2O3F3
Smiles	OC(c(cc1)cc(N=C2N3CC/C2=C\c2cccc(C(F)(F)F)c2)c1C3=O)=O
InChI	InChI=1S/C20H13F3N2O3/c21-20(22,23)14-3-1-2-11(9-14)8-12-6-7-25-17(12)24-16-10-13(19(27)28)4-5-15(16)18(25)26/h1-5,8-10H,6-7H2,(H,27,28)
InChIK	AOVFIEZSBDAPCF-UHFFFAOYSA-N
TotalMolweight	386.328
Molweight	386.328
MonoisotopicMass	386.087827
CLogP	3.3275
CLogS	-4.244
H Acceptors	5
H Donors	1
TotalSurfaceArea	262.83
Relative PSA	0.20637
PolarSurfaceArea	69.97
Druglikeness	-3.3922
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.5
Fragments	1
Non HAtoms	28
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	1
StereoCon

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