Chemical ID: 7221556

Cc1c(c(n(n1)CC(C)c2nc3c4ccccc4ncn3n2)C)Br
Chemical ID:
7221556
Name [?]:
None
SMILES [?]:
Cc1c(c(n(n1)CC(C)c2nc3c4ccccc4ncn3n2)C)Br
InChi [?]:
InChI=1/C17H17BrN6/c1-10(8-23-12(3)15(18)11(2)21-23)16-20-17-13-6-4-5-7-14(13)19-9-24(17)22-16/h4-7,9-10H,8H2,1-3H3
InChi Info:
AuxInfo=1/0/N:9,1,23,15,16,14,17,7,20,8,2,4,13,18,3,10,12,24,19,11,6,22,5,21/rA:24cCCCCNNCCCCNCCCCCCCNCNNCBr/rB:s1;s2;d3;s4;d2s5;s5;s7;s8;s8;s10;d11;s12;s13;d14;s15;d16;d13s17;s18;d19;s12s20;d10s21;s4;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H17BrN6
All Atoms:41
Heavy Atoms:24
Chiral Atoms:1
ZAP Information [?]
Total:11.2779
Area:538.068
Solvation:-2.1738
Coulombic:-21.6508
Bond Count [?]
All:27
Single:19
Double:8
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:385.261
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:3.12
LogP (Chemaxon):4.18

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Descriptor Annotations

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