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Chemical ID: 7697230
Chemical ID:
7697230
Name [?]:
None
SMILES [?]:
Cc1ccccc1S(=O)(=O)Nc2c(cc(cc2C)C)C
InChi [?]:
InChI=1/C16H19NO2S/c1-11-9-13(3)16(14(4)10-11)17-20(18,19)15-8-6-5-7-12(15)2/h5-10,17H,1-4H3
InChi Info:
AuxInfo=1/0/N:19,1,18,20,4,5,3,6,16,14,15,2,17,13,7,12,11,9,10,8/E:(3,4)(9,10)(13,14)(18,19)/CRV:20.6/rA:20nCCCCCCCSOONCCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;d8;d8;s8;s11;s12;d13;s14;d15;d12s16;s17;s15;s13;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H19NO2S |
All Atoms: | 39 |
Heavy Atoms: | 20 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 9.43156 |
Area: | 441.624 |
Solvation: | -1.60904 |
Coulombic: | -14.1205 |
Bond Count [?]
All: | 21 |
Single: | 13 |
Double: | 8 |
Rotors: | 3 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 3.83 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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