(E)-1-phenyl-3-(2,3,4,5-tetrahydro-1-benzoxepin-7-yl)prop-2-en-1-one

Formula:C19H18O2 Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-1-phenyl-3-(2,3,4,5-tetrahydro-1-benzoxepin-7-yl)prop-2-en-1-one is a drug-like molecule.

MolName	(E)-1-phenyl-3-(2,3,4,5-tetrahydro-1-benzoxepin-7-yl)prop-2-en-1-one
MolecularFormula	C19H18O2
Smiles	O=C(/C=C/c(cc1)cc2c1OCCCC2)c1ccccc1
InChI	InChI=1S/C19H18O2/c20-18(16-6-2-1-3-7-16)11-9-15-10-12-19-17(14-15)8-4-5-13-21-19/h1-3,6-7,9-12,14H,4-5,8,13H2
InChIK	CVLOETWJMQFDKP-UHFFFAOYSA-N
TotalMolweight	278.35
Molweight	278.35
MonoisotopicMass	278.13068
CLogP	4.2136
CLogS	-4.747
H Acceptors	2
TotalSurfaceArea	228.81
Relative PSA	0.10069
PolarSurfaceArea	26.3
Druglikeness	-5.9236
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.61905
Fragments	1
Non HAtoms	21
NonCHAtoms	2
Electronegative Atoms	2
Rotatable Bond	3
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	5
Symmetricatoms	2
StereoCon

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