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Chemical ID: 7221367
Chemical ID:
7221367
Name [?]:
None
SMILES [?]:
CCOc1cc(ccc1OC(F)F)c2nc3c4ccccc4ncn3n2
InChi [?]:
InChI=1/C18H14F2N4O2/c1-2-25-15-9-11(7-8-14(15)26-18(19)20)16-22-17-12-5-3-4-6-13(12)21-10-24(17)23-16/h3-10,18H,2H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,19,20,18,21,7,8,5,24,6,17,22,9,4,14,16,11,12,13,23,15,26,25,3,10/E:(19,20)/rA:26nCCOCCCCCCOCFFCNCCCCCCCNCNN/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;s11;s11;s6;s14;d15;s16;s17;d18;s19;d20;d17s21;s22;d23;s16s24;d14s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H14F2N4O2 |
All Atoms: | 40 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.70864 |
Area: | 535.482 |
Solvation: | -4.67842 |
Coulombic: | -45.6053 |
Bond Count [?]
All: | 29 |
Single: | 20 |
Double: | 9 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 356.326 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 3.93 |
LogP (Chemaxon): | 4.24 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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