(2E,6E)-2,6-bis[(6-bromo-1,3-benzodioxol-5-yl)methylidene]cyclohexan-1-one

Formula:C22H16O5Br2 Mutagenic:none Tumorigenic:none Reproductive Effective:high (2E,6E)-2,6-bis[(6-bromo-1,3-benzodioxol-5-yl)methylidene]cyclohexan-1-one is not a drug-like molecule.

MolName	(2E,6E)-2,6-bis[(6-bromo-1,3-benzodioxol-5-yl)methylidene]cyclohexan-1-one
MolecularFormula	C22H16O5Br2
Smiles	O=C(/C(/CCC1)=C/c(cc2OCOc2c2)c2Br)/C1=C/c(cc1OCOc1c1)c1Br
InChI	InChI=1S/C22H16Br2O5/c23-16-8-20-18(26-10-28-20)6-14(16)4-12-2-1-3-13(22(12)25)5-15-7-19-21(9-17(15)24)29-11-27-19/h4-9H,1-3,10-11H2
InChIK	POGAFYIJYPXIIH-UHFFFAOYSA-N
TotalMolweight	520.172
Molweight	520.172
MonoisotopicMass	517.936447
CLogP	6.5112
CLogS	-7.68
H Acceptors	5
TotalSurfaceArea	305.75
Relative PSA	0.17348
PolarSurfaceArea	53.99
Druglikeness	-3.9598
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions
Shape Index	0.51724
Fragments	1
Non HAtoms	29
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	2
Rings Closures	5
Small Rings	5
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	9
Symmetricatoms	13
StereoCon

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1 - (2E,6E)-2,6-bis[(6-bromo-1,3-benzodioxol-5-yl)methylidene]cyclohexan-1-one | 2 - (2E,6E)-2,6-bis[(6-bromo-1,3-benzodioxol-5-yl)methylidene]cyclohexan-1-one

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