Chemical ID: 7221431

Cc1cc(nn1Cc2nc3c4ccccc4ncn3n2)C(F)F
Chemical ID:
7221431
Name [?]:
None
SMILES [?]:
Cc1cc(nn1Cc2nc3c4ccccc4ncn3n2)C(F)F
InChi [?]:
InChI=1/C15H12F2N6/c1-9-6-12(14(16)17)20-22(9)7-13-19-15-10-4-2-3-5-11(10)18-8-23(15)21-13/h2-6,8,14H,7H2,1H3
InChi Info:
AuxInfo=1/0/N:1,13,14,12,15,3,7,18,2,11,16,4,8,21,10,22,23,17,9,5,20,6,19/E:(16,17)/rA:23nCCCCNNCCNCCCCCCCNCNNCFF/rB:s1;d2;s3;d4;s2s5;s6;s7;s8;d9;s10;s11;d12;s13;d14;d11s15;s16;d17;s10s18;d8s19;s4;s21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H12F2N6
All Atoms:35
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:7.6606
Area:481.849
Solvation:-4.38562
Coulombic:-31.0978
Bond Count [?]
All:26
Single:18
Double:8
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:314.293
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:2.33
LogP (Chemaxon):2.94

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Descriptor Annotations

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