Chemical ID: 4723512

CCC(c1ccoc1)Sc2ccccc2
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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Descriptor Annotations

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