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Chemical ID: 7718570
Chemical ID:
7718570
Name [?]:
None
SMILES [?]:
Cc1c(nnn1c2cccc(c2)C(F)(F)F)C(=O)Nc3cccc(c3)C(F)(F)F
InChi [?]:
InChI=1/C18H12F6N4O/c1-10-15(16(29)25-13-6-2-4-11(8-13)17(19,20)21)26-27-28(10)14-7-3-5-12(9-14)18(22,23)24/h2-9H,1H3,(H,25,29)
InChi Info:
AuxInfo=1/1/N:1,22,9,23,10,21,8,25,12,2,24,11,20,7,3,17,26,13,27,28,29,14,15,16,19,4,5,6,18/E:(19,20,21)(22,23,24)/rA:29nCCCNNNCCCCCCCFFFCONCCCCCCCFFF/rB:s1;d2;s3;d4;s2s5;s6;s7;d8;s9;d10;d7s11;s11;s13;s13;s13;s3;d17;s17;s19;s20;d21;s22;d23;d20s24;s24;s26;s26;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H12F6N4O |
All Atoms: | 41 |
Heavy Atoms: | 29 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 10.5419 |
Area: | 561.54 |
Solvation: | -3.49659 |
Coulombic: | -64.2926 |
Bond Count [?]
All: | 31 |
Single: | 22 |
Double: | 9 |
Rotors: | 6 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 4.53 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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