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Chemical ID: 7727342
Chemical ID:
7727342
Name [?]:
None
SMILES [?]:
Cn1c(=O)c2c(nc1SCC(=O)Nc3ccc(cc3F)F)CCS2
InChi [?]:
InChI=1/C15H13F2N3O2S2/c1-20-14(22)13-11(4-5-23-13)19-15(20)24-7-12(21)18-10-3-2-8(16)6-9(10)17/h2-3,6H,4-5,7H2,1H3,(H,18,21)
InChi Info:
AuxInfo=1/1/N:1,16,15,22,23,18,10,17,19,14,6,11,5,3,8,21,20,13,7,2,12,4,24,9/rA:24nCNCOCCNCSCCONCCCCCCFFCCS/rB:s1;s2;d3;s3;d5;s6;s2d7;s8;s9;s10;d11;s11;s13;s14;d15;s16;d17;d14s18;s19;s17;s6;s22;s5s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H13F2N3O2S2 |
All Atoms: | 37 |
Heavy Atoms: | 24 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 8.76547 |
Area: | 533.756 |
Solvation: | -4.57842 |
Coulombic: | -49.554 |
Bond Count [?]
All: | 26 |
Single: | 19 |
Double: | 7 |
Rotors: | 5 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 1.48 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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