Chemical ID: 7684485

CCn1c(cc(n1)c2nc3c4c(ncn3n2)Oc5c(c([nH]n5)C)C4c6cnn(c6)C)C(F)(F)F
Chemical ID:
7684485
Name [?]:
None
SMILES [?]:
CCn1c(cc(n1)c2nc3c4c(ncn3n2)Oc5c(c([nH]n5)C)C4c6cnn(c6)C)C(F)(F)F
InChi [?]:
InChI=1/C20H17F3N10O/c1-4-32-12(20(21,22)23)5-11(29-32)16-26-17-15-14(10-6-25-31(3)7-10)13-9(2)27-28-19(13)34-18(15)24-8-33(17)30-16/h5-8,14H,4H2,1-3H3,(H,27,28)
InChi Info:
AuxInfo=1/1/N:1,23,30,2,5,26,29,14,20,25,6,4,19,24,11,8,10,12,18,31,32,33,34,13,27,9,21,22,7,16,28,3,15,17/E:(21,22,23)/rA:34cCCNCCCNCNCCCNCNNOCCCNNCCCCNNCCCFFF/rB:s1;s2;s3;d4;s5;s3d6;s6;s8;d9;s10;d11;s12;d13;s10s14;d8s15;s12;s17;s18;d19;s20;d18s21;s20;s11s19;s24;s25;d26;s27;d25s28;s28;s4;s31;s31;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H17F3N10O
All Atoms:51
Heavy Atoms:34
Chiral Atoms:None
ZAP Information [?]
Total:9.62807
Area:614.369
Solvation:-5.73115
Coulombic:-60.6895
Bond Count [?]
All:39
Single:29
Double:10
Rotors:4
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:2.44
LogP (Chemaxon):None

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