Chemical ID: 6470694

Cc1c2c(c3ccccc3n1)SCC2
Chemical ID:
6470694
Name [?]:
None
SMILES [?]:
Cc1c2c(c3ccccc3n1)SCC2
InChi [?]:
InChI=1/C12H11NS/c1-8-9-6-7-14-12(9)10-4-2-3-5-11(10)13-8/h2-5H,6-7H2,1H3
InChi Info:
AuxInfo=1/0/N:1,7,8,6,9,14,13,2,3,5,10,4,11,12/rA:14nCCCCCCCCCCNSCC/rB:s1;s2;d3;s4;s5;d6;s7;d8;d5s9;d2s10;s4;s12;s3s13;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H11NS
All Atoms:14
Heavy Atoms:14
Chiral Atoms:0
ZAP Information [?]
Total:7.54348
Area:350.833
Solvation:-1.22734
Coulombic:-6.68519
Bond Count [?]
All:16
Single:11
Double:5
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:201.288
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:2.96
LogP (Chemaxon):2.84

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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