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Chemical ID: 4723512
Chemical ID:
4723512
Name [?]:
3-(1-phenylsulfanylpropyl)furan
SMILES [?]:
CCC(c1ccoc1)Sc2ccccc2
InChi [?]:
InChI=1/C13H14OS/c1-2-13(11-8-9-14-10-11)15-12-6-4-3-5-7-12/h3-10,13H,2H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,13,12,14,11,15,5,6,8,4,10,3,7,9/E:(4,5)(6,7)/rA:15cCCCCCCOCSCCCCCC/rB:s1;s2;s3;s4;d5;s6;d4s7;s3;s9;s10;d11;s12;d13;d10s14;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H14OS |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 7.64072 |
Area: | 391.094 |
Solvation: | -2.13662 |
Coulombic: | -9.64182 |
Bond Count [?]
All: | 16 |
Single: | 11 |
Double: | 5 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 218.316 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 0 |
XLogP: | 3.46 |
LogP (Chemaxon): | 4.33 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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