Chemical ID: 7221394

COc1cc(ccc1OC(F)F)c2nc3c4ccccc4ncn3n2
Chemical ID:
7221394
Name [?]:
None
SMILES [?]:
COc1cc(ccc1OC(F)F)c2nc3c4ccccc4ncn3n2
InChi [?]:
InChI=1/C17H12F2N4O2/c1-24-14-8-10(6-7-13(14)25-17(18)19)15-21-16-11-4-2-3-5-12(11)20-9-23(16)22-15/h2-9,17H,1H3
InChi Info:
AuxInfo=1/0/N:1,18,19,17,20,6,7,4,23,5,16,21,8,3,13,15,10,11,12,22,14,25,24,2,9/E:(18,19)/rA:25nCOCCCCCCOCFFCNCCCCCCCNCNN/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s10;s10;s5;s13;d14;s15;s16;d17;s18;d19;d16s20;s21;d22;s15s23;d13s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H12F2N4O2
All Atoms:37
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:7.97746
Area:507.878
Solvation:-4.71948
Coulombic:-45.3402
Bond Count [?]
All:28
Single:19
Double:9
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:342.3
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:3.5
LogP (Chemaxon):3.9

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Experimental Annotations

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Descriptor Annotations

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