Chemical ID: 7701608

COc1cc(ccc1OC(=O)c2ccccc2I)C(=O)OC
Chemical ID:
7701608
Name [?]:
None
SMILES [?]:
COc1cc(ccc1OC(=O)c2ccccc2I)C(=O)OC
InChi [?]:
InChI=1/C16H13IO5/c1-20-14-9-10(15(18)21-2)7-8-13(14)22-16(19)11-5-3-4-6-12(11)17/h3-9H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,22,14,15,13,16,6,7,4,5,12,17,8,3,19,10,18,20,11,2,21,9/rA:22nCOCCCCCCOCOCCCCCCICOOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;d10;s10;s12;d13;s14;d15;d12s16;s17;s5;d19;s19;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H13IO5
All Atoms:35
Heavy Atoms:22
Chiral Atoms:None
ZAP Information [?]
Total:9.57015
Area:521.422
Solvation:-3.4654
Coulombic:-47.935
Bond Count [?]
All:23
Single:15
Double:8
Rotors:6
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:4.17
LogP (Chemaxon):None

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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