(E)-1-(1,2-dihydroacenaphthylen-5-yl)-3-(2,4-dihydroxyphenyl)prop-2-en-1-one

Formula:C21H16O3 Mutagenic:low Tumorigenic:high Reproductive Effective:none (E)-1-(1,2-dihydroacenaphthylen-5-yl)-3-(2,4-dihydroxyphenyl)prop-2-en-1-one is a drug-like molecule.

MolName	(E)-1-(1,2-dihydroacenaphthylen-5-yl)-3-(2,4-dihydroxyphenyl)prop-2-en-1-one
MolecularFormula	C21H16O3
Smiles	Oc1cc(O)c(/C=C/C(c2ccc(CC3)c4c3cccc24)=O)cc1
InChI	InChI=1S/C21H16O3/c22-16-9-6-13(20(24)12-16)8-11-19(23)17-10-7-15-5-4-14-2-1-3-18(17)21(14)15/h1-3,6-12,22,24H,4-5H2
InChIK	HSVKXWVHXQBNKQ-UHFFFAOYSA-N
TotalMolweight	316.355
Molweight	316.355
MonoisotopicMass	316.109945
CLogP	4.2796
CLogS	-5.406
H Acceptors	3
H Donors	2
TotalSurfaceArea	238.59
Relative PSA	0.16447
PolarSurfaceArea	57.53
Druglikeness	-1.0091
Mutagenic	low
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.54167
Fragments	1
Non HAtoms	24
NonCHAtoms	3
Electronegative Atoms	3
Rotatable Bond	3
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	16
Sp3Atoms	4
StereoCon

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