(E)-1-phenyl-3-(4-prop-2-ynoxyphenyl)prop-2-en-1-one

Formula:C18H14O2 Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-1-phenyl-3-(4-prop-2-ynoxyphenyl)prop-2-en-1-one is a drug-like molecule.

MolName	(E)-1-phenyl-3-(4-prop-2-ynoxyphenyl)prop-2-en-1-one
MolecularFormula	C18H14O2
Smiles	C#CCOc1ccc(/C=C/C(c2ccccc2)=O)cc1
InChI	InChI=1S/C18H14O2/c1-2-14-20-17-11-8-15(9-12-17)10-13-18(19)16-6-4-3-5-7-16/h1,3-13H,14H2
InChIK	OUEJVRJIUDMPBZ-UHFFFAOYSA-N
TotalMolweight	262.307
Molweight	262.307
MonoisotopicMass	262.09938
CLogP	3.261
CLogS	-4.482
H Acceptors	2
TotalSurfaceArea	224.84
Relative PSA	0.10247
PolarSurfaceArea	26.3
Druglikeness	-0.047996
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.75
Fragments	1
Non HAtoms	20
NonCHAtoms	2
Electronegative Atoms	2
Rotatable Bond	5
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	2
Symmetricatoms	4
StereoCon

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