Chemical ID: 7221459

Cc1c(c(nn1Cc2nc3c4ccccc4ncn3n2)C(F)(F)F)Br
Chemical ID:
7221459
Name [?]:
None
SMILES [?]:
Cc1c(c(nn1Cc2nc3c4ccccc4ncn3n2)C(F)(F)F)Br
InChi [?]:
InChI=1/C15H10BrF3N6/c1-8-12(16)13(15(17,18)19)23-24(8)6-11-21-14-9-4-2-3-5-10(9)20-7-25(14)22-11/h2-5,7H,6H2,1H3
InChi Info:
AuxInfo=1/0/N:1,13,14,12,15,7,18,2,11,16,8,3,4,10,21,25,22,23,24,17,9,20,5,6,19/E:(17,18,19)/rA:25nCCCCNNCCNCCCCCCCNCNNCFFFBr/rB:s1;d2;s3;d4;s2s5;s6;s7;s8;d9;s10;s11;d12;s13;d14;d11s15;s16;d17;s10s18;d8s19;s4;s21;s21;s21;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H10BrF3N6
All Atoms:35
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:9.92557
Area:510.439
Solvation:-2.8354
Coulombic:-41.3403
Bond Count [?]
All:28
Single:20
Double:8
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:411.18
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:3.37
LogP (Chemaxon):4.55

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Descriptor Annotations

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