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Chemical ID: 4759302
Chemical ID:
4759302
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)C(=O)N(S(=O)(=O)c3ccccc3S2)[Na]
InChi [?]:
InChI=1/C13H9NO3S2.Na/c15-13-9-5-1-2-6-10(9)18-11-7-3-4-8-12(11)19(16,17)14-13;/h1-8H,(H,14,15);/q;+1/p-1
InChi Info:
AuxInfo=1/5/N:1,2,16,15,6,3,17,14,5,4,18,13,7,9,8,11,12,19,10;20/E:(16,17);/CRV:19.6;/rA:20nCCCCCCCONSOOCCCCCCSNa/rB:s1;d2;s3;d4;d1s5;s5;d7;s7;s9;d10;d10;s10;s13;d14;s15;d16;d13s17;s4s18;s9;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H8NNaO3S2 |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 0.0 |
Area: | 0.0 |
Solvation: | 0.0 |
Coulombic: | 0.0 |
Bond Count [?]
All: | 22 |
Single: | 13 |
Double: | 9 |
Rotors: | 0 |
Chiral: | 0 |
Rigid Segments: | 1 |
Chemical Properties
Molecular Weight: | 313.329 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 2.63 |
LogP (Chemaxon): | 3.2 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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