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Chemical ID: 7707528
Chemical ID:
7707528
Name [?]:
None
SMILES [?]:
Cc1ccccc1S(=O)(=O)Nc2cccc(c2)Cl
InChi [?]:
InChI=1/C13H12ClNO2S/c1-10-5-2-3-8-13(10)18(16,17)15-12-7-4-6-11(14)9-12/h2-9,15H,1H3
InChi Info:
AuxInfo=1/0/N:1,4,5,14,3,15,13,6,17,2,16,12,7,18,11,9,10,8/E:(16,17)/CRV:18.6/rA:18nCCCCCCCSOONCCCCCCCl/rB:s1;s2;d3;s4;d5;d2s6;s7;d8;d8;s8;s11;s12;d13;s14;d15;d12s16;s16;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H12ClNO2S |
All Atoms: | 30 |
Heavy Atoms: | 18 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 9.25543 |
Area: | 435.709 |
Solvation: | -1.63731 |
Coulombic: | -14.5833 |
Bond Count [?]
All: | 19 |
Single: | 11 |
Double: | 8 |
Rotors: | 3 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 3.56 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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