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

Formula:C15H11NOClF Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-3-(4-chloroanilino)-1-(4-fluorophenyl)prop-2-en-1-one is a drug-like molecule.

MolName	(E)-3-(4-chloroanilino)-1-(4-fluorophenyl)prop-2-en-1-one
MolecularFormula	C15H11NOClF
Smiles	O=C(/C=C/Nc(cc1)ccc1Cl)c(cc1)ccc1F
InChI	InChI=1S/C15H11ClFNO/c16-12-3-7-14(8-4-12)18-10-9-15(19)11-1-5-13(17)6-2-11/h1-10,18H
InChIK	MKWBSUZEQKZITE-UHFFFAOYSA-N
TotalMolweight	275.709
Molweight	275.709
MonoisotopicMass	275.051319
CLogP	3.1813
CLogS	-4.836
H Acceptors	2
H Donors	1
TotalSurfaceArea	210.5
Relative PSA	0.11639
PolarSurfaceArea	29.1
Druglikeness	-0.68199
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.73684
Fragments	1
Non HAtoms	19
NonCHAtoms	4
Electronegative Atoms	4
Rotatable Bond	4
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Symmetricatoms	4
StereoCon

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