Chemical ID: 7196169

CC(=O)c1ccc(s1)Cc2ccccc2
Chemical ID:
7196169
Name [?]:
1-(5-benzyl-2-thienyl)ethanone
SMILES [?]:
CC(=O)c1ccc(s1)Cc2ccccc2
InChi [?]:
InChI=1/C13H12OS/c1-10(14)13-8-7-12(15-13)9-11-5-3-2-4-6-11/h2-8H,9H2,1H3
InChi Info:
AuxInfo=1/0/N:1,13,12,14,11,15,6,5,9,2,10,7,4,3,8/E:(3,4)(5,6)/rA:15nCCOCCCCSCCCCCCC/rB:s1;d2;s2;d4;s5;d6;s4s7;s7;s9;s10;d11;s12;d13;d10s14;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H12OS
All Atoms:27
Heavy Atoms:15
Chiral Atoms:0
ZAP Information [?]
Total:8.2166
Area:401.623
Solvation:-1.82397
Coulombic:-10.2801
Bond Count [?]
All:16
Single:10
Double:6
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:216.3
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:2.27
LogP (Chemaxon):2.45

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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