Chemical ID: 4928049

C1C(c2c(c(sc2Br)Br)C1=O)N
Chemical ID:
4928049
Name [?]:
8-amino-2,4-dibromo-3-thiabicyclo[3.3.0]octa-1,4-dien-6-one
SMILES [?]:
C1C(c2c(c(sc2Br)Br)C1=O)N
InChi [?]:
InChI=1/C7H5Br2NOS/c8-6-4-2(10)1-3(11)5(4)7(9)12-6/h2H,1,10H2
InChi Info:
AuxInfo=1/0/N:1,2,10,3,4,7,5,8,9,12,11,6/rA:12cCCCCCSCBrBrCON/rB:s1;s2;s3;d4;s5;d3s6;s7;s5;s1s4;d10;s2;/rC:;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C7H5Br2NOS
All Atoms:12
Heavy Atoms:12
Chiral Atoms:1
ZAP Information [?]
Total:6.70623
Area:350.016
Solvation:-2.04416
Coulombic:-18.9076
Bond Count [?]
All:13
Single:10
Double:3
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:310.995
H-Bond Donors:2
H-Bond Acceptors:2
XLogP:0.83
LogP (Chemaxon):1.54

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Descriptor Annotations

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