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Chemical ID: 7711611
Chemical ID:
7711611
Name [?]:
None
SMILES [?]:
Cc1ccc(c(c1)C)S(=O)(=O)NCc2ccccc2
InChi [?]:
InChI=1/C15H17NO2S/c1-12-8-9-15(13(2)10-12)19(17,18)16-11-14-6-4-3-5-7-14/h3-10,16H,11H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,8,17,16,18,15,19,3,4,7,13,2,6,14,5,12,10,11,9/E:(4,5)(6,7)(17,18)/CRV:19.6/rA:19nCCCCCCCCSOONCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s5;d9;d9;s9;s12;s13;s14;d15;s16;d17;d14s18;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H17NO2S |
All Atoms: | 36 |
Heavy Atoms: | 19 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 9.66901 |
Area: | 462.734 |
Solvation: | -1.89935 |
Coulombic: | -14.9197 |
Bond Count [?]
All: | 20 |
Single: | 12 |
Double: | 8 |
Rotors: | 4 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 3.24 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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