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Chemical ID: 5280070
Chemical ID:
5280070
Name [?]:
None
SMILES [?]:
c1cc(ccc1n2c3c(cn2)c4nc(nn4cn3)C5CCCCC5)F
InChi [?]:
InChI=1/C18H17FN6/c19-13-6-8-14(9-7-13)25-17-15(10-21-25)18-22-16(23-24(18)11-20-17)12-4-2-1-3-5-12/h6-12H,1-5H2
InChi Info:
AuxInfo=1/0/N:22,21,23,20,24,2,4,1,5,10,17,19,3,6,9,14,8,12,25,18,11,13,15,16,7/E:(2,3)(4,5)(6,7)(8,9)/rA:25nCCCCCCNCCCNCNCNNCNCCCCCCF/rB:s1;d2;s3;d4;d1s5;s6;s7;d8;s9;s7d10;s9;d12;s13;d14;s12s15;s16;s8d17;s14;s19;s20;s21;s22;s19s23;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H17FN6 |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.2313 |
Area: | 518.919 |
Solvation: | -2.74164 |
Coulombic: | -26.4285 |
Bond Count [?]
All: | 29 |
Single: | 21 |
Double: | 8 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 336.366 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 0 |
XLogP: | 3.82 |
LogP (Chemaxon): | 4.83 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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