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Chemical ID: 7665323
Chemical ID:
7665323
Name [?]:
None
SMILES [?]:
Cc1ccc(nc1)NS(=O)(=O)c2ccc(cc2)C(C)(C)C
InChi [?]:
InChI=1/C16H20N2O2S/c1-12-5-10-15(17-11-12)18-21(19,20)14-8-6-13(7-9-14)16(2,3)4/h5-11H,1-4H3,(H,17,18)
InChi Info:
AuxInfo=1/1/N:1,19,20,21,3,14,16,13,17,4,7,2,15,12,5,18,6,8,10,11,9/E:(2,3,4)(6,7)(8,9)(19,20)/CRV:21.6/rA:21nCCCCCNCNSOOCCCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;d9;d9;s9;s12;d13;s14;d15;d12s16;s15;s18;s18;s18;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H20N2O2S |
All Atoms: | 41 |
Heavy Atoms: | 21 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 9.71416 |
Area: | 487.009 |
Solvation: | -2.46108 |
Coulombic: | -18.3628 |
Bond Count [?]
All: | 22 |
Single: | 14 |
Double: | 8 |
Rotors: | 4 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 4.23 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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