Chemical ID: 7636781

c1cc2c(cc(c3c2c4c(cc3C(=O)O)OCO4)[N+](=O)[O-])c(c1)O
Chemical ID:
7636781
Name [?]:
None
SMILES [?]:
c1cc2c(cc(c3c2c4c(cc3C(=O)O)OCO4)[N+](=O)[O-])c(c1)O
InChi [?]:
InChI=1/C16H9NO7/c18-11-3-1-2-7-8(11)4-10(17(21)22)13-9(16(19)20)5-12-15(14(7)13)24-6-23-12/h1-5,18H,6H2,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,2,23,5,11,17,3,4,12,6,22,10,7,8,9,13,19,24,14,15,20,21,16,18/E:(19,20)(21,22)/CRV:17.5/rA:24nCCCCCCCCCCCCCOOOCON+OO-CCO/rB:s1;d2;s3;s4;d5;s6;s3s7;d8;s9;d10;d7s11;s12;d13;s13;s10;s16;s9s17;s6;d19;s19;d4;d1s22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H9NO7
All Atoms:33
Heavy Atoms:24
Chiral Atoms:None
ZAP Information [?]
Total:1.09501
Area:454.647
Solvation:-10.2712
Coulombic:-67.0385
Bond Count [?]
All:27
Single:18
Double:9
Rotors:2
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:3.29
LogP (Chemaxon):None

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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