Chemical ID: 6645790

c1ccc2c(c1)cc(c3c2c4c(cc3C(=O)O)OCO4)[N+](=O)[O-]
Chemical ID:
6645790
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)cc(c3c2c4c(cc3C(=O)O)OCO4)[N+](=O)[O-]
InChi [?]:
InChI=1/C16H9NO6/c18-16(19)10-6-12-15(23-7-22-12)14-9-4-2-1-3-8(9)5-11(13(10)14)17(20)21/h1-6H,7H2,(H,18,19)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,7,13,19,5,4,14,8,12,9,10,11,15,21,16,17,22,23,18,20/E:(18,19)(20,21)/CRV:17.5/rA:23nCCCCCCCCCCCCCCCOOOCON+OO-/rB:s1;d2;s3;s4;d1s5;d5;s7;d8;d4s9;s10;d11;s12;s9d13;s14;d15;s15;s12;s18;s11s19;s8;d21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H9NO6
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:2.72349
Area:440.208
Solvation:-8.2817
Coulombic:-53.5332
Bond Count [?]
All:26
Single:17
Double:9
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:311.246
H-Bond Donors:1
H-Bond Acceptors:7
XLogP:3.69
LogP (Chemaxon):3.2

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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