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Chemical ID: 7685165
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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