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Chemical ID: 7698980
Chemical ID:
7698980
Name [?]:
None
SMILES [?]:
Cc1ccccc1S(=O)(=O)Nc2cc(cc(c2)C)C
InChi [?]:
InChI=1/C15H17NO2S/c1-11-8-12(2)10-14(9-11)16-19(17,18)15-7-5-4-6-13(15)3/h4-10,16H,1-3H3
InChi Info:
AuxInfo=1/0/N:18,19,1,4,5,3,6,15,17,13,16,14,2,12,7,11,9,10,8/E:(1,2)(9,10)(11,12)(17,18)/CRV:19.6/rA:19nCCCCCCCSOONCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;d8;d8;s8;s11;s12;d13;s14;d15;d12s16;s16;s14;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H17NO2S |
All Atoms: | 36 |
Heavy Atoms: | 19 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 9.45495 |
Area: | 444.585 |
Solvation: | -1.65969 |
Coulombic: | -14.1963 |
Bond Count [?]
All: | 20 |
Single: | 12 |
Double: | 8 |
Rotors: | 3 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 3.82 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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