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Chemical ID: 7669304
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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