Chemical ID: 7685165

c1cc2c(c(c1)[N+](=O)[O-])C(=O)N(C2=O)C3CCCC3
Chemical ID:
7685165
Name [?]:
None
SMILES [?]:
c1cc2c(c(c1)[N+](=O)[O-])C(=O)N(C2=O)C3CCCC3
InChi [?]:
InChI=1/C13H12N2O4/c16-12-9-6-3-7-10(15(18)19)11(9)13(17)14(12)8-4-1-2-5-8/h3,6-8H,1-2,4-5H2
InChi Info:
AuxInfo=1/0/N:17,18,1,16,19,2,6,15,3,5,4,13,10,12,7,14,11,8,9/E:(1,2)(4,5)(18,19)/CRV:15.5/rA:19nCCCCCCN+OO-CONCOCCCCC/rB:s1;d2;s3;d4;d1s5;s5;d7;s7;s4;d10;s10;s3s12;d13;s12;s15;s16;s17;s15s18;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H12N2O4
All Atoms:31
Heavy Atoms:19
Chiral Atoms:None
ZAP Information [?]
Total:1.12225
Area:414.289
Solvation:-9.23498
Coulombic:-33.4872
Bond Count [?]
All:21
Single:15
Double:6
Rotors:2
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:2.16
LogP (Chemaxon):None

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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