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Chemical ID: 6421777
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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