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Chemical ID: 4762184
Chemical ID:
4762184
Name [?]:
None
SMILES [?]:
CSc1c-2c(cs1)CCc3c2n[nH]c3
InChi [?]:
InChI=1/C10H10N2S2/c1-13-10-8-7(5-14-10)3-2-6-4-11-12-9(6)8/h4-5H,2-3H2,1H3,(H,11,12)
InChi Info:
AuxInfo=1/1/N:1,9,8,14,6,10,5,4,11,3,13,12,2,7/rA:14nCSCCCCSCCCCNNC/rB:s1;s2;d3;s4;d5;s3s6;s5;s8;s9;s4s10;d11;s12;d10s13;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H10N2S2 |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.21424 |
Area: | 366.655 |
Solvation: | -1.95214 |
Coulombic: | -10.3397 |
Bond Count [?]
All: | 16 |
Single: | 12 |
Double: | 4 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 222.332 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 0 |
XLogP: | 2.11 |
LogP (Chemaxon): | 3.14 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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