Chemical ID: 4727437

c1cc2c(ccs2)cc1Br
Chemical ID:
4727437
Name [?]:
5-bromobenzothiophene
SMILES [?]:
c1cc2c(ccs2)cc1Br
InChi [?]:
InChI=1/C8H5BrS/c9-7-1-2-8-6(5-7)3-4-10-8/h1-5H
InChi Info:
AuxInfo=1/0/N:1,2,5,6,8,4,9,3,10,7/rA:10nCCCCCCSCCBr/rB:s1;d2;s3;s4;d5;s3s6;d4;d1s8;s9;/rC:;;;;;;;;;;

Chemical Details

Atom Count
Formula:C8H5BrS
All Atoms:10
Heavy Atoms:10
Chiral Atoms:0
ZAP Information [?]
Total:7.08468
Area:307.511
Solvation:-0.603101
Coulombic:-2.3782
Bond Count [?]
All:11
Single:7
Double:4
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:213.095
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:3.6
LogP (Chemaxon):3.88

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Descriptor Annotations

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