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Chemical ID: 7656357
Chemical ID:
7656357
Name [?]:
None
SMILES [?]:
Cc1cc(=O)n2c(csc2c1C#N)C
InChi [?]:
InChI=1/C10H8N2OS/c1-6-3-9(13)12-7(2)5-14-10(12)8(6)4-11/h3,5H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,14,3,12,8,2,7,11,4,10,13,6,5,9/rA:14nCCCCONCCSCCCNC/rB:s1;d2;s3;d4;s4;s6;d7;s8;s6s9;s2d10;s11;t12;s7;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H8N2OS |
All Atoms: | 22 |
Heavy Atoms: | 14 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 7.13271 |
Area: | 355.637 |
Solvation: | -1.75823 |
Coulombic: | -18.6498 |
Bond Count [?]
All: | 15 |
Single: | 10 |
Double: | 4 |
Rotors: | 0 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 0.98 |
LogP (Chemaxon): | None |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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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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