Chemical ID: 4087288

c1ccc2c(c1)Nc3cc4=NS(=O)(=O)c5c4c(c3=N2)ccc5
Chemical ID:
4087288
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)Nc3cc4=NS(=O)(=O)c5c4c(c3=N2)ccc5
InChi [?]:
InChI=1/C16H9N3O2S/c20-22(21)14-7-3-4-9-15(14)12(19-22)8-13-16(9)18-11-6-2-1-5-10(11)17-13/h1-8,17H
InChi Info:
AuxInfo=1/0/N:1,2,21,20,6,3,22,9,17,5,4,10,8,15,16,18,7,19,11,13,14,12/E:(20,21)/CRV:22.6/rA:22nCCCCCCNCCCNSOOCCCCNCCC/rB:s1;d2;s3;d4;d1s5;s5;s7;d8;s9;d10;s11;d12;d12;s12;s10s15;d16;s8s17;s4d18;s17;d20;d15s21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H9N3O2S
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:8.86323
Area:448.663
Solvation:-2.35336
Coulombic:-23.363
Bond Count [?]
All:26
Single:15
Double:11
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:307.328
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:3.03
LogP (Chemaxon):2.82

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Experimental Annotations

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Descriptor Annotations

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