(E)-1-[2,4-bis(difluoromethoxy)phenyl]-3-(3,4-dichlorophenyl)prop-2-en-1-one

Formula:C17H10O3Cl2F4 Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-1-[2,4-bis(difluoromethoxy)phenyl]-3-(3,4-dichlorophenyl)prop-2-en-1-one is a drug-like molecule.

MolName	(E)-1-[2,4-bis(difluoromethoxy)phenyl]-3-(3,4-dichlorophenyl)prop-2-en-1-one
MolecularFormula	C17H10O3Cl2F4
Smiles	O=C(/C=C/c(cc1)cc(Cl)c1Cl)c(ccc(OC(F)F)c1)c1OC(F)F
InChI	InChI=1S/C17H10Cl2F4O3/c18-12-5-1-9(7-13(12)19)2-6-14(24)11-4-3-10(25-16(20)21)8-15(11)26-17(22)23/h1-8,16-17H
InChIK	ZQTJFBBKVVAQRC-UHFFFAOYSA-N
TotalMolweight	409.161
Molweight	409.161
MonoisotopicMass	407.994311
CLogP	4.8546
CLogS	-6.556
H Acceptors	3
TotalSurfaceArea	278.51
Relative PSA	0.11863
PolarSurfaceArea	35.53
Druglikeness	-2.4911
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.57692
Fragments	1
Non HAtoms	26
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	7
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	4
Symmetricatoms	2
StereoCon

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