Chemical ID: 6421777

c1ccc(cc1)c2cnc(cn2)c3ccccc3
Chemical ID:
6421777
Name [?]:
2,5-diphenylpyrazine
SMILES [?]:
c1ccc(cc1)c2cnc(cn2)c3ccccc3
InChi [?]:
InChI=1/C16H12N2/c1-3-7-13(8-4-1)15-11-18-16(12-17-15)14-9-5-2-6-10-14/h1-12H
InChi Info:
AuxInfo=1/0/N:1,16,2,6,15,17,3,5,14,18,8,11,4,13,7,10,12,9/E:(1,2)(3,4,5,6)(7,8,9,10)(11,12)(13,14)(15,16)(17,18)/rA:18nCCCCCCCCNCCNCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s9;d10;d7s11;s10;s13;d14;s15;d16;d13s17;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H12N2
All Atoms:18
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:8.87563
Area:426.26
Solvation:-1.78087
Coulombic:-13.583
Bond Count [?]
All:20
Single:11
Double:9
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:232.28
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:4.06
LogP (Chemaxon):3.59

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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