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Chemical ID: 7712911
Chemical ID:
7712911
Name [?]:
None
SMILES [?]:
CCc1ccc(cc1)S(=O)(=O)Nc2cccc(c2)C
InChi [?]:
InChI=1/C15H17NO2S/c1-3-13-7-9-15(10-8-13)19(17,18)16-14-6-4-5-12(2)11-14/h4-11,16H,3H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,19,2,15,16,14,4,8,5,7,18,17,3,13,6,12,10,11,9/E:(7,8)(9,10)(17,18)/CRV:19.6/rA:19nCCCCCCCCSOONCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;d9;d9;s9;s12;s13;d14;s15;d16;d13s17;s17;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H17NO2S |
All Atoms: | 36 |
Heavy Atoms: | 19 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 9.72573 |
Area: | 456.058 |
Solvation: | -1.67572 |
Coulombic: | -14.4573 |
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: | 4.05 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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