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Chemical ID: 7635880
Chemical ID:
7635880
Name [?]:
None
SMILES [?]:
COc1ccc2c(c1O)cc(c3c2c4c(cc3C(=O)O)OCO4)[N+](=O)[O-]
InChi [?]:
InChI=1/C17H11NO8/c1-24-11-3-2-7-8(15(11)19)4-10(18(22)23)13-9(17(20)21)5-12-16(14(7)13)26-6-25-12/h2-5,19H,6H2,1H3,(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,5,4,10,16,22,6,7,17,11,3,15,12,13,8,14,18,24,9,19,20,25,26,2,21,23/E:(20,21)(22,23)/CRV:18.5/rA:26nCOCCCCCCOCCCCCCCCCOOOCON+OO-/rB:s1;s2;s3;d4;s5;s6;d3s7;s8;d7;s10;d11;d6s12;s13;d14;s15;s12d16;s17;d18;s18;s15;s21;s14s22;s11;d24;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H11NO8 |
All Atoms: | 37 |
Heavy Atoms: | 26 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 1.38917 |
Area: | 487.85 |
Solvation: | -10.8071 |
Coulombic: | -74.8115 |
Bond Count [?]
All: | 29 |
Single: | 20 |
Double: | 9 |
Rotors: | 3 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 3.2 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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