Chemical ID: 4673654

c1ccc2c(c1)-c3ccccc3S(=O)(=O)N2
Chemical ID:
4673654
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)-c3ccccc3S(=O)(=O)N2
InChi [?]:
InChI=1/C12H9NO2S/c14-16(15)12-8-4-2-6-10(12)9-5-1-3-7-11(9)13-16/h1-8,13H
InChi Info:
AuxInfo=1/0/N:1,9,2,10,6,8,3,11,5,7,4,12,16,14,15,13/E:(14,15)/CRV:16.6/rA:16nCCCCCCCCCCCCSOON/rB:s1;d2;s3;d4;d1s5;s5;s7;d8;s9;d10;d7s11;s12;d13;d13;s4s13;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H9NO2S
All Atoms:16
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:7.30864
Area:368.726
Solvation:-1.90951
Coulombic:-13.548
Bond Count [?]
All:18
Single:10
Double:8
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:231.271
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:2.63
LogP (Chemaxon):2.25

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Descriptor Annotations

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