(E)-1-(1-adamantyl)-3-(2-hydroxyphenyl)prop-2-en-1-one

Formula:C19H22O2 Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-1-(1-adamantyl)-3-(2-hydroxyphenyl)prop-2-en-1-one is a drug-like molecule.

MolName	(E)-1-(1-adamantyl)-3-(2-hydroxyphenyl)prop-2-en-1-one
MolecularFormula	C19H22O2
Smiles	Oc1c(/C=C/C(C2(CC(C3)C4)CC4CC3C2)=O)cccc1
InChI	InChI=1S/C19H22O2/c20-17-4-2-1-3-16(17)5-6-18(21)19-10-13-7-14(11-19)9-15(8-13)12-19/h1-6,13-15,20H,7-12H2
InChIK	PAGXLYGDWVWCJW-UHFFFAOYSA-N
TotalMolweight	282.382
Molweight	282.382
MonoisotopicMass	282.16198
CLogP	3.703
CLogS	-4.305
H Acceptors	2
H Donors	1
TotalSurfaceArea	213.83
Relative PSA	0.12225
PolarSurfaceArea	37.3
Druglikeness	1.0889
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.52381
Fragments	1
Non HAtoms	21
NonCHAtoms	2
Electronegative Atoms	2
Rotatable Bond	3
Rings Closures	4
Small Rings	5
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	11
Symmetricatoms	6
StereoCon

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