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Chemical ID: 7707825
Chemical ID:
7707825
Name [?]:
None
SMILES [?]:
CCCCc1ccc(cc1)NS(=O)(=O)c2ccccc2C
InChi [?]:
InChI=1/C17H21NO2S/c1-3-4-8-15-10-12-16(13-11-15)18-21(19,20)17-9-6-5-7-14(17)2/h5-7,9-13,18H,3-4,8H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,21,2,3,18,17,19,4,16,6,10,7,9,20,5,8,15,11,13,14,12/E:(10,11)(12,13)(19,20)/CRV:21.6/rA:21nCCCCCCCCCCNSOOCCCCCCC/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s8;s11;d12;d12;s12;s15;d16;s17;d18;d15s19;s20;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H21NO2S |
All Atoms: | 42 |
Heavy Atoms: | 21 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 10.8483 |
Area: | 500.895 |
Solvation: | -1.67407 |
Coulombic: | -15.3578 |
Bond Count [?]
All: | 22 |
Single: | 14 |
Double: | 8 |
Rotors: | 6 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 4.98 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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