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Chemical ID: 7666016
Chemical ID:
7666016
Name [?]:
None
SMILES [?]:
c1cc(ccc1C=c2c(=O)n3c(=O)c(c(nc3s2)O)N)F
InChi [?]:
InChI=1/C13H8FN3O3S/c14-7-3-1-6(2-4-7)5-8-11(19)17-12(20)9(15)10(18)16-13(17)21-8/h1-5,18H,15H2
InChi Info:
AuxInfo=1/0/N:1,5,2,4,7,6,3,8,14,15,9,12,17,21,20,16,11,19,10,13,18/E:(1,2)(3,4)/rA:21nCCCCCCCCCONCOCCNCSONF/rB:s1;d2;s3;d4;d1s5;s6;w7;s8;d9;s9;s11;d12;s12;d14;s15;s11d16;s8s17;s15;s14;s3;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H8FN3O3S |
All Atoms: | 29 |
Heavy Atoms: | 21 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 7.27541 |
Area: | 453.434 |
Solvation: | -4.06044 |
Coulombic: | -69.686 |
Bond Count [?]
All: | 23 |
Single: | 15 |
Double: | 8 |
Rotors: | 1 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 1.52 |
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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