Chemical ID: 7164682

Cn1c(cc(n1)C(F)(F)F)c2nc3c4c5c(sc4ncn3n2)CCC5
Chemical ID:
7164682
Name [?]:
None
SMILES [?]:
Cn1c(cc(n1)C(F)(F)F)c2nc3c4c5c(sc4ncn3n2)CCC5
InChi [?]:
InChI=1/C15H11F3N6S/c1-23-8(5-10(21-23)15(16,17)18)12-20-13-11-7-3-2-4-9(7)25-14(11)19-6-24(13)22-12/h5-6H,2-4H2,1H3
InChi Info:
AuxInfo=1/0/N:1,24,25,23,4,20,15,3,16,5,14,11,13,18,7,8,9,10,19,12,6,22,2,21,17/E:(16,17,18)/rA:25nCNCCCNCFFFCNCCCCSCNCNNCCC/rB:s1;s2;d3;s4;s2d5;s5;s7;s7;s7;s3;s11;d12;s13;s14;d15;s16;d14s17;s18;d19;s13s20;d11s21;s16;s23;s15s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H11F3N6S
All Atoms:36
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:10.1263
Area:510.109
Solvation:-2.62643
Coulombic:-41.8264
Bond Count [?]
All:29
Single:22
Double:7
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:364.349
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:1.81
LogP (Chemaxon):3.37

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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