(E)-3-anthracen-9-yl-1-(furan-2-yl)prop-2-en-1-one

Formula:C21H14O2 Mutagenic:high Tumorigenic:high Reproductive Effective:none (E)-3-anthracen-9-yl-1-(furan-2-yl)prop-2-en-1-one is a drug-like molecule.

MolName	(E)-3-anthracen-9-yl-1-(furan-2-yl)prop-2-en-1-one
MolecularFormula	C21H14O2
Smiles	O=C(/C=C/c1c(cccc2)c2cc2ccccc12)c1ccco1
InChI	InChI=1S/C21H14O2/c22-20(21-10-5-13-23-21)12-11-19-17-8-3-1-6-15(17)14-16-7-2-4-9-18(16)19/h1-14H
InChIK	QURKMPLWUBYYQJ-UHFFFAOYSA-N
TotalMolweight	298.34
Molweight	298.34
MonoisotopicMass	298.09938
CLogP	4.8813
CLogS	-6.734
H Acceptors	2
TotalSurfaceArea	236.16
Relative PSA	0.11496
PolarSurfaceArea	30.21
Druglikeness	0.63902
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	high
Nasty Functions
Shape Index	0.47826
Fragments	1
Non HAtoms	23
NonCHAtoms	2
Electronegative Atoms	2
Rotatable Bond	3
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	19
Symmetricatoms	6
StereoCon

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