Chemical ID: 7221423

CC(Cn1cc(cn1)Br)c2nc3c4ccccc4ncn3n2
Chemical ID:
7221423
Name [?]:
None
SMILES [?]:
CC(Cn1cc(cn1)Br)c2nc3c4ccccc4ncn3n2
InChi [?]:
InChI=1/C15H13BrN6/c1-10(7-21-8-11(16)6-18-21)14-19-15-12-4-2-3-5-13(12)17-9-22(15)20-14/h2-6,8-10H,7H2,1H3
InChi Info:
AuxInfo=1/0/N:1,15,16,14,17,7,3,5,20,2,6,13,18,10,12,9,19,8,11,22,4,21/rA:22cCCCNCCCNBrCNCCCCCCCNCNN/rB:s1;s2;s3;s4;d5;s6;s4d7;s6;s2;s10;d11;s12;s13;d14;s15;d16;d13s17;s18;d19;s12s20;d10s21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H13BrN6
All Atoms:35
Heavy Atoms:22
Chiral Atoms:1
ZAP Information [?]
Total:10.2663
Area:502.836
Solvation:-2.30458
Coulombic:-21.5341
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:2.74
LogP (Chemaxon):4.0

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