Chemical ID: 5244171

CN1c2ccccc2S(=O)(=O)n3c1nnn3
Chemical ID:
5244171
Name [?]:
None
SMILES [?]:
CN1c2ccccc2S(=O)(=O)n3c1nnn3
InChi [?]:
InChI=1/C8H7N5O2S/c1-12-6-4-2-3-5-7(6)16(14,15)13-8(12)9-10-11-13/h2-5H,1H3
InChi Info:
AuxInfo=1/0/N:1,5,6,4,7,3,8,13,14,15,16,2,12,10,11,9/E:(14,15)/CRV:16.6/rA:16nCNCCCCCCSOONCNNN/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;d9;d9;s9;s2s12;d13;s14;s12d15;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C8H7N5O2S
All Atoms:16
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:7.53111
Area:364.444
Solvation:-1.58
Coulombic:-16.686
Bond Count [?]
All:18
Single:11
Double:7
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:237.24
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:0.43
LogP (Chemaxon):0.9

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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