Chemical ID: 7221866

Cc1c(cn(n1)CCc2nc3c4ccccc4ncn3n2)Br
Chemical ID:
7221866
Name [?]:
None
SMILES [?]:
Cc1c(cn(n1)CCc2nc3c4ccccc4ncn3n2)Br
InChi [?]:
InChI=1/C15H13BrN6/c1-10-12(16)8-21(19-10)7-6-14-18-15-11-4-2-3-5-13(11)17-9-22(15)20-14/h2-5,8-9H,6-7H2,1H3
InChi Info:
AuxInfo=1/0/N:1,14,15,13,16,8,7,4,19,2,12,3,17,9,11,22,18,10,6,21,5,20/rA:22nCCCCNNCCCNCCCCCCCNCNNBr/rB:s1;s2;d3;s4;d2s5;s5;s7;s8;s9;d10;s11;s12;d13;s14;d15;d12s16;s17;d18;s11s19;d9s20;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H13BrN6
All Atoms:35
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:10.4057
Area:508.022
Solvation:-2.29486
Coulombic:-21.0373
Bond Count [?]
All:25
Single:17
Double:8
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:357.208
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:2.59
LogP (Chemaxon):3.61

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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