(E)-3-(2,4-dichloroanilino)-1-(4-fluorophenyl)prop-2-en-1-one

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

MolName	(E)-3-(2,4-dichloroanilino)-1-(4-fluorophenyl)prop-2-en-1-one
MolecularFormula	C15H10NOCl2F
Smiles	O=C(/C=C/Nc(ccc(Cl)c1)c1Cl)c(cc1)ccc1F
InChI	InChI=1S/C15H10Cl2FNO/c16-11-3-6-14(13(17)9-11)19-8-7-15(20)10-1-4-12(18)5-2-10/h1-9,19H
InChIK	WRWQCZXBALDJPS-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	0.7
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
Symmetricatoms	2
StereoCon

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