Chemical ID: 5622943

c1ccc2c(c1)CC3C2Sc4c(sc(=O)s4)S3
Chemical ID:
5622943
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)CC3C2Sc4c(sc(=O)s4)S3
InChi [?]:
InChI=1/C12H8OS4/c13-12-16-10-11(17-12)15-9-7-4-2-1-3-6(7)5-8(9)14-10/h1-4,8-9H,5H2
InChi Info:
AuxInfo=1/0/N:1,2,6,3,7,5,4,8,9,12,11,14,15,17,10,13,16/rA:17cCCCCCCCCCSCCSCOSS/rB:s1;d2;s3;d4;d1s5;s5;s7;s4s8;s9;s10;d11;s12;s13;d14;s11s14;s8s12;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H8OS4
All Atoms:17
Heavy Atoms:17
Chiral Atoms:2
ZAP Information [?]
Total:9.23354
Area:427.993
Solvation:-1.46627
Coulombic:-13.2885
Bond Count [?]
All:20
Single:15
Double:5
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:296.455
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:2.59
LogP (Chemaxon):3.86

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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