3,4-bis[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy]-1,5-dihydroxycyclohexane-1-carboxylic acid

Formula:C25H24O12 Mutagenic:none Tumorigenic:none Reproductive Effective:none 3,4-bis[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy]-1,5-dihydroxycyclohexane-1-carboxylic acid is not a drug-like molecule.

MolName	3,4-bis[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy]-1,5-dihydroxycyclohexane-1-carboxylic acid
MolecularFormula	C25H24O12
Smiles	OC(CC(CC1OC(/C=C/c(cc2)cc(O)c2O)=O)(C(O)=O)O)C1OC(/C=C/c(cc1)cc(O)c1O)=O
InChI	InChI=1S/C25H24O12/c26-15-5-1-13(9-17(15)28)3-7-21(31)36-20-12-25(35,24(33)34)11-19(30)23(20)37-22(32)8-4-14-2-6-16(27)18(29)10-14/h1-10,19-20,23,26-30,35H,11-12H2,(H,33,34)
InChIK	UFCLZKMFXSILNL-UHFFFAOYSA-N
TotalMolweight	516.454
Molweight	516.454
MonoisotopicMass	516.12678
CLogP	0.7977
CLogS	-2.854
H Acceptors	12
H Donors	7
TotalSurfaceArea	365.65
Relative PSA	0.41247
PolarSurfaceArea	211.28
Druglikeness	-0.92841
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.54054
Fragments	1
Non HAtoms	37
NonCHAtoms	12
Electronegative Atoms	12
StereoCenters	4
Rotatable Bond	9
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	15
AcidicOxygens	1
StereoCon	unknown chirality

Click to Load Molecule:

1 - 3,4-bis[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy]-1,5-dihydroxycyclohexane-1-carboxylic acid | 2 - 3,4-bis[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy]-1,5-dihydroxycyclohexane-1-carboxylic acid

Request More Details | 3,4-bis[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy]-1,5-dihydroxycyclohexane-1-carboxylic acid

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments