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Chemical ID: 6425520
Chemical ID:
6425520
Name [?]:
7-phenylpurine
SMILES [?]:
c1ccc(cc1)n2cnc3c2cncn3
InChi [?]:
InChI=1/C11H8N4/c1-2-4-9(5-3-1)15-8-14-11-10(15)6-12-7-13-11/h1-8H
InChi Info:
AuxInfo=1/0/N:1,2,6,3,5,12,14,8,4,11,10,13,15,9,7/E:(2,3)(4,5)/rA:15nCCCCCCNCNCCCNCN/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s9;s7s10;d11;s12;d13;d10s14;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H8N4 |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.13772 |
Area: | 357.37 |
Solvation: | -1.79652 |
Coulombic: | -23.1747 |
Bond Count [?]
All: | 17 |
Single: | 10 |
Double: | 7 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 196.208 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 0 |
XLogP: | 1.62 |
LogP (Chemaxon): | 1.54 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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