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Chemical ID: 7667441
Chemical ID:
7667441
Name [?]:
None
SMILES [?]:
c1cc(c2c(c1)sc(n2)Nc3ccc(cc3)F)F
InChi [?]:
InChI=1/C13H8F2N2S/c14-8-4-6-9(7-5-8)16-13-17-12-10(15)2-1-3-11(12)18-13/h1-7H,(H,16,17)
InChi Info:
AuxInfo=1/1/N:1,2,6,13,15,12,16,14,11,3,5,4,8,17,18,10,9,7/E:(4,5)(6,7)/rA:18nCCCCCCSCNNCCCCCCFF/rB:s1;d2;s3;d4;d1s5;s5;s7;s4d8;s8;s10;s11;d12;s13;d14;d11s15;s14;s3;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H8F2N2S |
All Atoms: | 26 |
Heavy Atoms: | 18 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 7.36816 |
Area: | 410.111 |
Solvation: | -2.88462 |
Coulombic: | -26.4907 |
Bond Count [?]
All: | 20 |
Single: | 13 |
Double: | 7 |
Rotors: | 2 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 3.46 |
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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