Chemical ID: 7221793

Cc1c(c(nn1C(C)c2nc3c4ccccc4ncn3n2)C(F)(F)F)Cl
Chemical ID:
7221793
Name [?]:
None
SMILES [?]:
Cc1c(c(nn1C(C)c2nc3c4ccccc4ncn3n2)C(F)(F)F)Cl
InChi [?]:
InChI=1/C16H12ClF3N6/c1-8-12(17)13(16(18,19)20)23-26(8)9(2)14-22-15-10-5-3-4-6-11(10)21-7-25(15)24-14/h3-7,9H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,8,14,15,13,16,19,2,7,12,17,3,4,9,11,22,26,23,24,25,18,10,5,21,20,6/E:(18,19,20)/rA:26cCCCCNNCCCNCCCCCCCNCNNCFFFCl/rB:s1;d2;s3;d4;s2s5;s6;s7;s7;s9;d10;s11;s12;d13;s14;d15;d12s16;s17;d18;s11s19;d9s20;s4;s22;s22;s22;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H12ClF3N6
All Atoms:38
Heavy Atoms:26
Chiral Atoms:1
ZAP Information [?]
Total:10.5063
Area:534.742
Solvation:-2.86228
Coulombic:-42.0931
Bond Count [?]
All:29
Single:21
Double:8
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:380.755
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:3.72
LogP (Chemaxon):4.82

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue