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Chemical ID: 4285486
Chemical ID:
4285486
Name [?]:
6-(2-chlorophenoxy)hexane-1-thiol
SMILES [?]:
c1ccc(c(c1)OCCCCCCS)Cl
InChi [?]:
InChI=1/C12H17ClOS/c13-11-7-3-4-8-12(11)14-9-5-1-2-6-10-15/h3-4,7-8,15H,1-2,5-6,9-10H2
InChi Info:
AuxInfo=1/0/N:10,11,2,1,9,12,3,6,8,13,4,5,15,7,14/rA:15nCCCCCCOCCCCCCSCl/rB:s1;d2;s3;d4;d1s5;s5;s7;s8;s9;s10;s11;s12;s13;s4;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H17ClOS |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.39227 |
Area: | 464.077 |
Solvation: | -2.20966 |
Coulombic: | -12.8383 |
Bond Count [?]
All: | 15 |
Single: | 12 |
Double: | 3 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 244.781 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 4.66 |
LogP (Chemaxon): | 3.97 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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