Chemical ID: 7635880

COc1ccc2c(c1O)cc(c3c2c4c(cc3C(=O)O)OCO4)[N+](=O)[O-]
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

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Descriptor Annotations

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