Chemical ID: 7221532

Cc1cc(nn1CC(C)c2nc3c4ccccc4ncn3n2)C(F)(F)F
Chemical ID:
7221532
Name [?]:
None
SMILES [?]:
Cc1cc(nn1CC(C)c2nc3c4ccccc4ncn3n2)C(F)(F)F
InChi [?]:
InChI=1/C17H15F3N6/c1-10(8-25-11(2)7-14(23-25)17(18,19)20)15-22-16-12-5-3-4-6-13(12)21-9-26(16)24-15/h3-7,9-10H,8H2,1-2H3
InChi Info:
AuxInfo=1/0/N:9,1,15,16,14,17,3,7,20,8,2,13,18,4,10,12,23,24,25,26,19,11,5,22,6,21/E:(18,19,20)/rA:26cCCCCNNCCCCNCCCCCCCNCNNCFFF/rB:s1;d2;s3;d4;s2s5;s6;s7;s8;s8;s10;d11;s12;s13;d14;s15;d16;d13s17;s18;d19;s12s20;d10s21;s4;s23;s23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H15F3N6
All Atoms:41
Heavy Atoms:26
Chiral Atoms:1
ZAP Information [?]
Total:10.3504
Area:531.281
Solvation:-2.93163
Coulombic:-41.1842
Bond Count [?]
All:29
Single:21
Double:8
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:360.337
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:3.1
LogP (Chemaxon):4.5

Name Annotations

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Descriptor Annotations

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