Chemical ID: 7682815

COc1ccc(c(c1OC)C(=O)OC)C=CC(=O)c2ccc(cc2)Br
Chemical ID:
7682815
Name [?]:
None
SMILES [?]:
COc1ccc(c(c1OC)C(=O)OC)C=CC(=O)c2ccc(cc2)Br
InChi [?]:
InChI=1/C19H17BrO5/c1-23-16-11-7-13(17(18(16)24-2)19(22)25-3)6-10-15(21)12-4-8-14(20)9-5-12/h4-11H,1-3H3
InChi Info:
AuxInfo=1/0/N:1,10,14,20,24,15,5,21,23,16,4,19,6,22,17,3,7,8,11,25,18,12,2,9,13/E:(4,5)(8,9)/rA:25nCOCCCCCCOCCOOCCCCOCCCCCCBr/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s7;d11;s11;s13;s6;w15;s16;d17;s17;s19;d20;s21;d22;d19s23;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H17BrO5
All Atoms:42
Heavy Atoms:25
Chiral Atoms:None
ZAP Information [?]
Total:8.58699
Area:579.324
Solvation:-5.8961
Coulombic:-43.6741
Bond Count [?]
All:26
Single:17
Double:9
Rotors:7
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:4.14
LogP (Chemaxon):None

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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