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Chemical ID: 6730107
Chemical ID:
6730107
Name [?]:
None
SMILES [?]:
Cc1[nH]c2c3ccccc3sc2[nH+]1
InChi [?]:
InChI=1/C10H8N2S/c1-6-11-9-7-4-2-3-5-8(7)13-10(9)12-6/h2-5H,1H3,(H,11,12)/p+1
InChi Info:
AuxInfo=1/1/N:1,7,8,6,9,2,5,10,4,12,3,13,11/rA:13nCCNCCCCCCCSCN+/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s10;d4s11;d2s12;/rC:;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H9N2S+ |
All Atoms: | 22 |
Heavy Atoms: | 13 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | -22.5701 |
Area: | 339.315 |
Solvation: | -31.053 |
Coulombic: | -6.90763 |
Bond Count [?]
All: | 15 |
Single: | 10 |
Double: | 5 |
Rotors: | 0 |
Chiral: | 0 |
Rigid Segments: | 1 |
Chemical Properties
Molecular Weight: | 189.258 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 0 |
XLogP: | 2.8 |
LogP (Chemaxon): | 3.28 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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