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Chemical ID: 4912615
Chemical ID:
4912615
Name [?]:
None
SMILES [?]:
Cn1c(=S)n2c3ccccc3nc2sc1=S
InChi [?]:
InChI=1/C10H7N3S3/c1-12-9(14)13-7-5-3-2-4-6(7)11-8(13)16-10(12)15/h2-5H,1H3
InChi Info:
AuxInfo=1/0/N:1,9,8,10,7,11,6,13,3,15,12,2,5,4,16,14/rA:16nCNCSNCCCCCCNCSCS/rB:s1;s2;d3;s3;s5;s6;d7;s8;d9;d6s10;s11;s5d12;s13;s2s14;d15;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H7N3S3 |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.01668 |
Area: | 395.364 |
Solvation: | -0.867418 |
Coulombic: | -23.3182 |
Bond Count [?]
All: | 18 |
Single: | 12 |
Double: | 6 |
Rotors: | 0 |
Chiral: | 0 |
Rigid Segments: | 1 |
Chemical Properties
Molecular Weight: | 265.381 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 0 |
XLogP: | 2.4 |
LogP (Chemaxon): | 3.89 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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Chemical Mix | Source | External ID | Descriptor | Value |
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