Chemical ID: 6473728

c1ccc-2c(c1)CCc3c2nns3
Chemical ID:
6473728
Name [?]:
None
SMILES [?]:
c1ccc-2c(c1)CCc3c2nns3
InChi [?]:
InChI=1/C10H8N2S/c1-2-4-8-7(3-1)5-6-9-10(8)11-12-13-9/h1-4H,5-6H2
InChi Info:
AuxInfo=1/0/N:1,2,6,3,7,8,5,4,9,10,11,12,13/rA:13nCCCCCCCCCCNNS/rB:s1;d2;s3;d4;d1s5;s5;s7;s8;s4d9;s10;d11;s9s12;/rC:;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H8N2S
All Atoms:13
Heavy Atoms:13
Chiral Atoms:0
ZAP Information [?]
Total:7.14725
Area:332.182
Solvation:-1.15729
Coulombic:-3.33148
Bond Count [?]
All:15
Single:10
Double:5
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:188.25
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:3.27
LogP (Chemaxon):2.16

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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