(E)-1-[4-(difluoromethoxy)phenyl]-3-(3-nitro-4-pyrrolidin-1-ylphenyl)prop-2-en-1-one

Formula:C20H18N2O4F2 Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-1-[4-(difluoromethoxy)phenyl]-3-(3-nitro-4-pyrrolidin-1-ylphenyl)prop-2-en-1-one is a drug-like molecule.

MolName	(E)-1-[4-(difluoromethoxy)phenyl]-3-(3-nitro-4-pyrrolidin-1-ylphenyl)prop-2-en-1-one
MolecularFormula	C20H18N2O4F2
Smiles	[O-][N+](c(cc(/C=C/C(c(cc1)ccc1OC(F)F)=O)cc1)c1N1CCCC1)=O
InChI	InChI=1S/C20H18F2N2O4/c21-20(22)28-16-7-5-15(6-8-16)19(25)10-4-14-3-9-17(18(13-14)24(26)27)23-11-1-2-12-23/h3-10,13,20H,1-2,11-12H2
InChIK	FOIYDJMKEQUFLX-UHFFFAOYSA-N
TotalMolweight	388.369
Molweight	388.369
MonoisotopicMass	388.123464
CLogP	3.0426
CLogS	-5.644
H Acceptors	6
TotalSurfaceArea	287.98
Relative PSA	0.19797
PolarSurfaceArea	75.36
Druglikeness	-5.065
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.60714
Fragments	1
Non HAtoms	28
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	7
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	8
Symmetricatoms	5
Amines	1
Aromatic Amines	1
AcidicOxygens	1
StereoCon

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