(E)-1-(3,4-dichlorophenyl)-3-(2-fluoroanilino)prop-2-en-1-one

Formula:C15H10NOCl2F Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-1-(3,4-dichlorophenyl)-3-(2-fluoroanilino)prop-2-en-1-one is a drug-like molecule.

MolName	(E)-1-(3,4-dichlorophenyl)-3-(2-fluoroanilino)prop-2-en-1-one
MolecularFormula	C15H10NOCl2F
Smiles	O=C(/C=C/Nc(cccc1)c1F)c(cc1)cc(Cl)c1Cl
InChI	InChI=1S/C15H10Cl2FNO/c16-11-6-5-10(9-12(11)17)15(20)7-8-19-14-4-2-1-3-13(14)18/h1-9,19H
InChIK	XTKLAUHHLXWDPH-UHFFFAOYSA-N
TotalMolweight	310.154
Molweight	310.154
MonoisotopicMass	309.012346
CLogP	3.7873
CLogS	-5.572
H Acceptors	2
H Donors	1
TotalSurfaceArea	225.92
Relative PSA	0.10845
PolarSurfaceArea	29.1
Druglikeness	-0.68199
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.65
Fragments	1
Non HAtoms	20
NonCHAtoms	5
Electronegative Atoms	5
Rotatable Bond	4
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
StereoCon

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