Chemical ID: 7669304

CC(Cn1cc(cn1)[N+](=O)[O-])C(=O)O
Chemical ID:
7669304
Name [?]:
None
SMILES [?]:
CC(Cn1cc(cn1)[N+](=O)[O-])C(=O)O
InChi [?]:
InChI=1/C7H9N3O4/c1-5(7(11)12)3-9-4-6(2-8-9)10(13)14/h2,4-5H,3H2,1H3,(H,11,12)
InChi Info:
AuxInfo=1/1/N:1,7,3,5,2,6,12,8,4,9,13,14,10,11/E:(11,12)(13,14)/CRV:10.5/rA:14cCCCNCCCNN+OO-COO/rB:s1;s2;s3;s4;d5;s6;s4d7;s6;d9;s9;s2;d12;s12;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C7H9N3O4
All Atoms:23
Heavy Atoms:14
Chiral Atoms:None
ZAP Information [?]
Total:1.64306
Area:367.33
Solvation:-7.5402
Coulombic:-42.354
Bond Count [?]
All:14
Single:10
Double:4
Rotors:4
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:0.52
LogP (Chemaxon):None

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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