Chemical ID: 6425520

c1ccc(cc1)n2cnc3c2cncn3
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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