3-[(E)-3-(4-chlorophenyl)prop-2-enoyl]-2-hydroxycyclohepta-2,4,6-trien-1-one

Formula:C16H11O3Cl Mutagenic:none Tumorigenic:none Reproductive Effective:none 3-[(E)-3-(4-chlorophenyl)prop-2-enoyl]-2-hydroxycyclohepta-2,4,6-trien-1-one is a drug-like molecule.

MolName	3-[(E)-3-(4-chlorophenyl)prop-2-enoyl]-2-hydroxycyclohepta-2,4,6-trien-1-one
MolecularFormula	C16H11O3Cl
Smiles	OC(C(C=CC=C1)=O)=C1C(/C=C/c(cc1)ccc1Cl)=O
InChI	InChI=1S/C16H11ClO3/c17-12-8-5-11(6-9-12)7-10-14(18)13-3-1-2-4-15(19)16(13)20/h1-10H,(H,19,20)
InChIK	JQEWCOHNNUNQRQ-UHFFFAOYSA-N
TotalMolweight	286.713
Molweight	286.713
MonoisotopicMass	286.039672
CLogP	2.5802
CLogS	-3.641
H Acceptors	3
H Donors	1
TotalSurfaceArea	219.45
Relative PSA	0.17854
PolarSurfaceArea	54.37
Druglikeness	1.6128
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.6
Fragments	1
Non HAtoms	20
NonCHAtoms	4
Electronegative Atoms	4
Rotatable Bond	3
Rings Closures	2
Small Rings	2
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	1
Symmetricatoms	2
StereoCon

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