Chemical ID: 7221795

Cc1c(c(n(n1)C(C)c2nc3c4ccccc4ncn3n2)C)Br
Chemical ID:
7221795
Name [?]:
None
SMILES [?]:
Cc1c(c(n(n1)C(C)c2nc3c4ccccc4ncn3n2)C)Br
InChi [?]:
InChI=1/C16H15BrN6/c1-9-14(17)10(2)23(20-9)11(3)15-19-16-12-6-4-5-7-13(12)18-8-22(16)21-15/h4-8,11H,1-3H3
InChi Info:
AuxInfo=1/0/N:1,22,8,14,15,13,16,19,2,4,7,12,17,3,9,11,23,18,10,6,21,20,5/rA:23cCCCCNNCCCNCCCCCCCNCNNCBr/rB:s1;s2;d3;s4;d2s5;s5;s7;s7;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:1
ZAP Information [?]
Total:10.3629
Area:513.619
Solvation:-2.4776
Coulombic:-22.004
Bond Count [?]
All:26
Single:18
Double:8
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:371.235
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:3.19
LogP (Chemaxon):3.98

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Descriptor Annotations

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