Chemical ID: 4689836

Cc1ccc(cc1)S(=O)(=O)n2ccc3c2nccc3
Chemical ID:
4689836
Name [?]:
7-(p-tolylsulfonyl)-5,7-diazabicyclo[4.3.0]nona-1,3,5,8-tetraene
SMILES [?]:
Cc1ccc(cc1)S(=O)(=O)n2ccc3c2nccc3
InChi [?]:
InChI=1/C14H12N2O2S/c1-11-4-6-13(7-5-11)19(17,18)16-10-8-12-3-2-9-15-14(12)16/h2-10H,1H3
InChi Info:
AuxInfo=1/0/N:1,18,19,3,7,4,6,13,17,12,2,14,5,15,16,11,9,10,8/E:(4,5)(6,7)(17,18)/CRV:19.6/rA:19nCCCCCCCSOONCCCCNCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;d8;s8;s11;d12;s13;s11s14;d15;s16;d17;d14s18;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H12N2O2S
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:8.37002
Area:429.286
Solvation:-2.36213
Coulombic:-13.8371
Bond Count [?]
All:21
Single:12
Double:9
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:272.323
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:3.44
LogP (Chemaxon):3.27

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Descriptor Annotations

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