(E)-1,3-bis(2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-trien-17-yl)prop-2-en-1-one

Formula:C31H40O11 Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-1,3-bis(2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-trien-17-yl)prop-2-en-1-one is not a drug-like molecule.

MolName	(E)-1,3-bis(2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-trien-17-yl)prop-2-en-1-one
MolecularFormula	C31H40O11
Smiles	O=C(/C=C/c(cc1)cc2c1OCCOCCOCCOCCO2)c(cc1)cc2c1OCCOCCOCCOCCO2
InChI	InChI=1S/C31H40O11/c32-27(26-3-6-29-31(24-26)42-22-18-38-14-10-34-8-12-36-16-20-40-29)4-1-25-2-5-28-30(23-25)41-21-17-37-13-9-33-7-11-35-15-19-39-28/h1-6,23-24H,7-22H2
InChIK	DWJIUBVDGSMUAZ-UHFFFAOYSA-N
TotalMolweight	588.648
Molweight	588.648
MonoisotopicMass	588.257065
CLogP	2.1396
CLogS	-3.73
H Acceptors	11
TotalSurfaceArea	470.43
Relative PSA	0.24029
PolarSurfaceArea	109.37
Druglikeness	-11.368
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	high
Nasty Functions
Shape Index	0.54762
Fragments	1
Non HAtoms	42
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	3
Rings Closures	4
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	26
StereoCon

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1 - (E)-1,3-bis(2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-trien-17-yl)prop-2-en-1-one | 2 - (E)-1,3-bis(2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-trien-17-yl)prop-2-en-1-one

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