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Chemical ID: 7707874
Chemical ID:
7707874
Name [?]:
None
SMILES [?]:
Cc1ccccc1S(=O)(=O)NCc2ccncc2
InChi [?]:
InChI=1/C13H14N2O2S/c1-11-4-2-3-5-13(11)18(16,17)15-10-12-6-8-14-9-7-12/h2-9,15H,10H2,1H3
InChi Info:
AuxInfo=1/0/N:1,4,5,3,6,14,18,15,17,12,2,13,7,16,11,9,10,8/E:(6,7)(8,9)(16,17)/CRV:18.6/rA:18nCCCCCCCSOONCCCCNCC/rB:s1;s2;d3;s4;d5;d2s6;s7;d8;d8;s8;s11;s12;s13;d14;s15;d16;d13s17;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H14N2O2S |
All Atoms: | 32 |
Heavy Atoms: | 18 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 8.26552 |
Area: | 435.936 |
Solvation: | -2.63289 |
Coulombic: | -17.6471 |
Bond Count [?]
All: | 19 |
Single: | 11 |
Double: | 8 |
Rotors: | 4 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 1.56 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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