(E)-3-[5-(hydroxymethyl)furan-2-yl]-1-phenylprop-2-en-1-one

Formula:C14H12O3 Mutagenic:high Tumorigenic:high Reproductive Effective:none (E)-3-[5-(hydroxymethyl)furan-2-yl]-1-phenylprop-2-en-1-one is a drug-like molecule.

MolName	(E)-3-[5-(hydroxymethyl)furan-2-yl]-1-phenylprop-2-en-1-one
MolecularFormula	C14H12O3
Smiles	OCc1ccc(/C=C/C(c2ccccc2)=O)o1
InChI	InChI=1S/C14H12O3/c15-10-13-7-6-12(17-13)8-9-14(16)11-4-2-1-3-5-11/h1-9,15H,10H2
InChIK	PAGMPWNTQNKMDO-UHFFFAOYSA-N
TotalMolweight	228.246
Molweight	228.246
MonoisotopicMass	228.078645
CLogP	1.9492
CLogS	-3.43
H Acceptors	3
H Donors	1
TotalSurfaceArea	187.07
Relative PSA	0.21516
PolarSurfaceArea	50.44
Druglikeness	1.4315
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.70588
Fragments	1
Non HAtoms	17
NonCHAtoms	3
Electronegative Atoms	3
Rotatable Bond	4
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	2
Symmetricatoms	2
StereoCon

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