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Chemical ID: 4606529
Chemical ID:
4606529
Name [?]:
None
SMILES [?]:
C1CCc2c(c3c(nc(=S)[nH]c3s2)N)C1
InChi [?]:
InChI=1/C10H11N3S2/c11-8-7-5-3-1-2-4-6(5)15-9(7)13-10(14)12-8/h1-4H2,(H3,11,12,13,14)
InChi Info:
AuxInfo=1/1/N:1,2,15,3,5,4,6,7,12,9,14,8,11,10,13/rA:15nCCCCCCCNCSNCSNC/rB:s1;s2;s3;d4;s5;s6;d7;s8;d9;s9;d6s11;s4s12;s7;s1s5;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H11N3S2 |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.67912 |
Area: | 381.783 |
Solvation: | -0.865455 |
Coulombic: | -35.4879 |
Bond Count [?]
All: | 17 |
Single: | 13 |
Double: | 4 |
Rotors: | 0 |
Chiral: | 0 |
Rigid Segments: | 1 |
Chemical Properties
Molecular Weight: | 237.347 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 1 |
XLogP: | 0.66 |
LogP (Chemaxon): | 2.93 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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