Chemical ID: 7221558

Cc1c(c(n(n1)Cc2nc3c4ccccc4ncn3n2)C)Br
Chemical ID:
7221558
Name [?]:
None
SMILES [?]:
Cc1c(c(n(n1)Cc2nc3c4ccccc4ncn3n2)C)Br
InChi [?]:
InChI=1/C15H13BrN6/c1-9-14(16)10(2)21(19-9)7-13-18-15-11-5-3-4-6-12(11)17-8-22(15)20-13/h3-6,8H,7H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,21,13,14,12,15,7,18,2,4,11,16,8,3,10,22,17,9,6,20,5,19/rA:22nCCCCNNCCNCCCCCCCNCNNCBr/rB:s1;s2;d3;s4;d2s5;s5;s7;s8;d9;s10;s11;d12;s13;d14;d11s15;s16;d17;s10s18;d8s19;s4;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H13BrN6
All Atoms:35
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:9.85651
Area:492.821
Solvation:-2.46401
Coulombic:-21.6068
Bond Count [?]
All:25
Single:17
Double:8
Rotors:2
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:357.208
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:2.67
LogP (Chemaxon):3.44

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