Chemical ID: 7222151

CC1CC(n2c(cc(n2)c3nc4c5ccccc5ncn4n3)N1)C(C(F)(F)F)(F)F
Chemical ID:
7222151
Name [?]:
None
SMILES [?]:
CC1CC(n2c(cc(n2)c3nc4c5ccccc5ncn4n3)N1)C(C(F)(F)F)(F)F
InChi [?]:
InChI=1/C18H14F5N7/c1-9-6-13(17(19,20)18(21,22)23)30-14(25-9)7-12(27-30)15-26-16-10-4-2-3-5-11(10)24-8-29(16)28-15/h2-5,7-9,13,25H,6H2,1H3
InChi Info:
AuxInfo=1/0/N:1,15,16,14,17,3,7,20,2,13,18,8,4,6,10,12,24,25,29,30,26,27,28,19,23,11,9,22,21,5/E:(19,20)(21,22,23)/rA:30cCCCCNCCCNCNCCCCCCCNCNNNCCFFFFF/rB:s1;s2;s3;s4;s5;d6;s7;s5d8;s8;s10;d11;s12;s13;d14;s15;d16;d13s17;s18;d19;s12s20;d10s21;s2s6;s4;s24;s25;s25;s25;s24;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H14F5N7
All Atoms:44
Heavy Atoms:30
Chiral Atoms:2
ZAP Information [?]
Total:10.214
Area:563.226
Solvation:-3.86661
Coulombic:-64.511
Bond Count [?]
All:34
Single:26
Double:8
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:423.343
H-Bond Donors:1
H-Bond Acceptors:1
XLogP:4.81
LogP (Chemaxon):3.91

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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