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Chemical ID: 4521493
Chemical ID:
4521493
Name [?]:
None
SMILES [?]:
c1cc2c(ccc3c2nno3)c(c1)S(=O)(=O)[O-]
InChi [?]:
InChI=1/C10H6N2O4S/c13-17(14,15)9-3-1-2-7-6(9)4-5-8-10(7)11-12-16-8/h1-5H,(H,13,14,15)/p-1
InChi Info:
AuxInfo=1/1/N:1,2,13,5,6,4,3,7,12,8,9,10,15,16,17,11,14/E:(13,14,15)/CRV:17.6/rA:17nCCCCCCCCNNOCCSOOO-/rB:s1;d2;s3;s4;d5;s6;s3d7;s8;d9;s7s10;d4;d1s12;s12;d14;d14;s14;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H5N2O4S- |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | -27.8739 |
Area: | 379.677 |
Solvation: | -37.3658 |
Coulombic: | 8.36039 |
Bond Count [?]
All: | 19 |
Single: | 11 |
Double: | 8 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 249.224 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 0.88 |
LogP (Chemaxon): | 1.51 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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