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Chemical ID: 6473664
Chemical ID:
6473664
Name [?]:
None
SMILES [?]:
c1csc2c1C(=O)CCC23CCCCC3
InChi [?]:
InChI=1/C13H16OS/c14-11-4-8-13(6-2-1-3-7-13)12-10(11)5-9-15-12/h5,9H,1-4,6-8H2
InChi Info:
AuxInfo=1/0/N:13,12,14,8,1,11,15,9,2,5,6,4,10,7,3/E:(2,3)(6,7)/rA:15nCCSCCCOCCCCCCCC/rB:d1;s2;s3;s1d4;s5;d6;s6;s8;s4s9;s10;s11;s12;s13;s10s14;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H16OS |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.70185 |
Area: | 368.409 |
Solvation: | -1.50838 |
Coulombic: | -9.5601 |
Bond Count [?]
All: | 17 |
Single: | 14 |
Double: | 3 |
Rotors: | 0 |
Chiral: | 0 |
Rigid Segments: | 1 |
Chemical Properties
Molecular Weight: | 220.332 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 2.74 |
LogP (Chemaxon): | 2.81 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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