ChemicalDetail: Details for an Individual Chemical

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Chemical ID: 7645272

Chemical ID:

7645272

Name [?]:

None

SMILES [?]:

CC1(CC(=O)c2c(cc3cc(cc(c3c2O)OC)OC)O1)O

InChi [?]:

InChI=1/C16H16O6/c1-16(19)7-10(17)14-12(22-16)5-8-4-9(20-2)6-11(21-3)13(8)15(14)18/h4-6,18-19H,7H2,1-3H3

InChi Info:

AuxInfo=1/0/N:1,20,18,10,8,12,3,9,11,4,13,7,14,6,15,2,5,16,22,19,17,21/rA:22cCCCCOCCCCCCCCCCOOCOCOO/rB:s1;s2;s3;d4;s4;s6;d7;s8;s9;d10;s11;d12;d9s13;d6s14;s15;s13;s17;s11;s19;s2s7;s2;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₆H₁₆O₆
All Atoms:	38
Heavy Atoms:	22
Chiral Atoms:	None

ZAP Information [?]

Total:	4.30496
Area:	453.126
Solvation:	-7.02318
Coulombic:	-59.6497

Bond Count [?]

All:	24
Single:	18
Double:	6
Rotors:	2
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	1.97
LogP (Chemaxon):	None

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical Mix	Source	External ID	Descriptor	Value