Chemical ID: 7221569

Cc1c(c(n(n1)CCc2nc3c4ccccc4ncn3n2)C)Br
Chemical ID:
7221569
Name [?]:
None
SMILES [?]:
Cc1c(c(n(n1)CCc2nc3c4ccccc4ncn3n2)C)Br
InChi [?]:
InChI=1/C16H15BrN6/c1-10-15(17)11(2)22(20-10)8-7-14-19-16-12-5-3-4-6-13(12)18-9-23(16)21-14/h3-6,9H,7-8H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,22,14,15,13,16,8,7,19,2,4,12,17,9,3,11,23,18,10,6,21,5,20/rA:23nCCCCNNCCCNCCCCCCCNCNNCBr/rB:s1;s2;d3;s4;d2s5;s5;s7;s8;s9;d10;s11;s12;d13;s14;d15;d12s16;s17;d18;s11s19;d9s20;s4;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H15BrN6
All Atoms:38
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:10.8487
Area:524.596
Solvation:-2.26616
Coulombic:-21.007
Bond Count [?]
All:26
Single:18
Double:8
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:371.235
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:2.83
LogP (Chemaxon):3.62

Name Annotations

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Descriptor Annotations

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