Chemical ID: 4759301

c1ccc2c(c1)C(=O)NS(=O)(=O)c3ccccc3S2
Chemical ID:
4759301
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)C(=O)NS(=O)(=O)c3ccccc3S2
InChi [?]:
InChI=1/C13H9NO3S2/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)
InChi Info:
AuxInfo=1/1/N:1,2,16,15,6,3,17,14,5,4,18,13,7,9,8,11,12,19,10/E:(16,17)/CRV:19.6/rA:19nCCCCCCCONSOOCCCCCCS/rB:s1;d2;s3;d4;d1s5;s5;d7;s7;s9;d10;d10;s10;s13;d14;s15;d16;d13s17;s4s18;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H9NO3S2
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:7.50216
Area:411.368
Solvation:-2.78204
Coulombic:-23.3558
Bond Count [?]
All:21
Single:12
Double:9
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:291.348
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:2.65
LogP (Chemaxon):2.87

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Descriptor Annotations

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