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Chemical ID: 5807864
Chemical ID:
5807864
Name [?]:
None
SMILES [?]:
Cn1c2ccccc2c3c1nc(nn3)SCC(=O)Nc4cccc(c4)F
InChi [?]:
InChI=1/C18H14FN5OS/c1-24-14-8-3-2-7-13(14)16-17(24)21-18(23-22-16)26-10-15(25)20-12-6-4-5-11(19)9-12/h2-9H,10H2,1H3,(H,20,25)
InChi Info:
AuxInfo=1/1/N:1,6,5,22,23,21,7,4,25,16,24,20,8,3,17,9,10,12,26,19,11,14,13,2,18,15/rA:26nCNCCCCCCCCNCNNSCCONCCCCCCF/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s2s9;d10;s11;d12;d9s13;s12;s15;s16;d17;s17;s19;s20;d21;s22;d23;d20s24;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H14FN5OS |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.2913 |
Area: | 560.392 |
Solvation: | -3.7185 |
Coulombic: | -42.5961 |
Bond Count [?]
All: | 29 |
Single: | 19 |
Double: | 10 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 367.401 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 3.48 |
LogP (Chemaxon): | 3.69 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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