(E)-1,3-bis[5-(2,3-dichlorophenyl)furan-2-yl]prop-2-en-1-one

Formula:C23H12O3Cl4 Mutagenic:high Tumorigenic:high Reproductive Effective:none (E)-1,3-bis[5-(2,3-dichlorophenyl)furan-2-yl]prop-2-en-1-one is not a drug-like molecule.

MolName	(E)-1,3-bis[5-(2,3-dichlorophenyl)furan-2-yl]prop-2-en-1-one
MolecularFormula	C23H12O3Cl4
Smiles	O=C(/C=C/c1ccc(-c(cccc2Cl)c2Cl)o1)c1ccc(-c2cccc(Cl)c2Cl)o1
InChI	InChI=1S/C23H12Cl4O3/c24-16-5-1-3-14(22(16)26)19-10-8-13(29-19)7-9-18(28)21-12-11-20(30-21)15-4-2-6-17(25)23(15)27/h1-12H
InChIK	OEHZZNWGRAHKQL-UHFFFAOYSA-N
TotalMolweight	478.157
Molweight	478.157
MonoisotopicMass	475.954053
CLogP	7.6056
CLogS	-9.704
H Acceptors	3
TotalSurfaceArea	337.85
Relative PSA	0.12213
PolarSurfaceArea	43.35
Druglikeness	2.1197
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.56667
Fragments	1
Non HAtoms	30
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	5
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	22
StereoCon

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