Chemical ID: 4759302

c1ccc2c(c1)C(=O)N(S(=O)(=O)c3ccccc3S2)[Na]
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

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Experimental Annotations

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Descriptor Annotations

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