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Chemical ID: 7579353
Chemical ID:
7579353
Name [?]:
None
SMILES [?]:
Cc1c2ccccc2nc-3c1CSc4c3cccc4F
InChi [?]:
InChI=1/C17H12FNS/c1-10-11-5-2-3-8-15(11)19-16-12-6-4-7-14(18)17(12)20-9-13(10)16/h2-8H,9H2,1H3
InChi Info:
AuxInfo=1/0/N:1,5,6,17,4,16,18,7,12,2,3,15,11,19,8,10,14,20,9,13/rA:20nCCCCCCCCNCCCSCCCCCCF/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;d9;d2s10;s11;s12;s13;s10s14;d15;s16;d17;d14s18;s19;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H12FNS |
All Atoms: | 32 |
Heavy Atoms: | 20 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 8.4873 |
Area: | 425.527 |
Solvation: | -2.15088 |
Coulombic: | -12.003 |
Bond Count [?]
All: | 23 |
Single: | 15 |
Double: | 8 |
Rotors: | 0 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 4.92 |
LogP (Chemaxon): | None |
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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