Chemical ID: 7668758

Cc1c(c(n(n1)CC(C)C(=O)O)C)[N+](=O)[O-]
Chemical ID:
7668758
Name [?]:
None
SMILES [?]:
Cc1c(c(n(n1)CC(C)C(=O)O)C)[N+](=O)[O-]
InChi [?]:
InChI=1/C9H13N3O4/c1-5(9(13)14)4-11-7(3)8(12(15)16)6(2)10-11/h5H,4H2,1-3H3,(H,13,14)
InChi Info:
AuxInfo=1/1/N:9,1,13,7,8,2,4,3,10,6,5,14,11,12,15,16/E:(13,14)(15,16)/CRV:12.5/rA:16cCCCCNNCCCCOOCN+OO-/rB:s1;s2;d3;s4;d2s5;s5;s7;s8;s8;d10;s10;s4;s3;d14;s14;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H13N3O4
All Atoms:29
Heavy Atoms:16
Chiral Atoms:None
ZAP Information [?]
Total:3.05681
Area:403.05
Solvation:-7.01944
Coulombic:-43.3949
Bond Count [?]
All:16
Single:12
Double:4
Rotors:4
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:0.9
LogP (Chemaxon):None

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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