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Chemical ID: 7682815
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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