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

Formula:C16H10O3Cl2 Mutagenic:none Tumorigenic:none Reproductive Effective:none 6-[(E)-3-(3,4-dichlorophenyl)prop-2-enoyl]-2-hydroxycyclohepta-2,4,6-trien-1-one is a drug-like molecule.

MolName	6-[(E)-3-(3,4-dichlorophenyl)prop-2-enoyl]-2-hydroxycyclohepta-2,4,6-trien-1-one
MolecularFormula	C16H10O3Cl2
Smiles	OC1=CC=CC(C(/C=C/c(cc2)cc(Cl)c2Cl)=O)=CC1=O
InChI	InChI=1S/C16H10Cl2O3/c17-12-6-4-10(8-13(12)18)5-7-14(19)11-2-1-3-15(20)16(21)9-11/h1-9H,(H,20,21)
InChIK	ISMBTBLMYWOGOL-UHFFFAOYSA-N
TotalMolweight	321.158
Molweight	321.158
MonoisotopicMass	320.000699
CLogP	3.1862
CLogS	-4.377
H Acceptors	3
H Donors	1
TotalSurfaceArea	234.87
Relative PSA	0.16682
PolarSurfaceArea	54.37
Druglikeness	1.8065
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.61905
Fragments	1
Non HAtoms	21
NonCHAtoms	5
Electronegative Atoms	5
Rotatable Bond	3
Rings Closures	2
Small Rings	2
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	1
StereoCon

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