Chemical ID: 6685459

c1csc2c1C(=O)CCC2
Chemical ID:
6685459
Name [?]:
6,7-dihydro-5H-benzothiophen-4-one
SMILES [?]:
c1csc2c1C(=O)CCC2
InChi [?]:
InChI=1/C8H8OS/c9-7-2-1-3-8-6(7)4-5-10-8/h4-5H,1-3H2
InChi Info:
AuxInfo=1/0/N:9,8,10,1,2,5,6,4,7,3/rA:10nCCSCCCOCCC/rB:d1;s2;s3;s1d4;s5;d6;s6;s8;s4s9;/rC:;;;;;;;;;;

Chemical Details

Atom Count
Formula:C8H8OS
All Atoms:10
Heavy Atoms:10
Chiral Atoms:0
ZAP Information [?]
Total:5.78185
Area:294.138
Solvation:-1.57161
Coulombic:-8.28078
Bond Count [?]
All:11
Single:8
Double:3
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:152.215
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:0.88
LogP (Chemaxon):1.22

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Experimental Annotations

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Descriptor Annotations

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