(E)-3-(4-fluoroanilino)-1-[4-(3-fluoropropoxy)phenyl]prop-2-en-1-one

Formula:C18H17NO2F2 Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-3-(4-fluoroanilino)-1-[4-(3-fluoropropoxy)phenyl]prop-2-en-1-one is a drug-like molecule.

MolName	(E)-3-(4-fluoroanilino)-1-[4-(3-fluoropropoxy)phenyl]prop-2-en-1-one
MolecularFormula	C18H17NO2F2
Smiles	O=C(/C=C/Nc(cc1)ccc1F)c(cc1)ccc1OCCCF
InChI	InChI=1S/C18H17F2NO2/c19-11-1-13-23-17-8-2-14(3-9-17)18(22)10-12-21-16-6-4-15(20)5-7-16/h2-10,12,21H,1,11,13H2
InChIK	LYAHPZRCGPFTCB-UHFFFAOYSA-N
TotalMolweight	317.334
Molweight	317.334
MonoisotopicMass	317.122735
CLogP	3.1404
CLogS	-4.763
H Acceptors	3
H Donors	1
TotalSurfaceArea	252.71
Relative PSA	0.13652
PolarSurfaceArea	38.33
Druglikeness	-1.3033
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.78261
Fragments	1
Non HAtoms	23
NonCHAtoms	5
Electronegative Atoms	5
Rotatable Bond	8
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	4
Symmetricatoms	4
StereoCon

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