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Chemical ID: 4673654
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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