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Chemical ID: 5871620
Chemical ID:
5871620
Name [?]:
5,6-diphenyl-1,2,4-triazin-3-ol
SMILES [?]:
c1ccc(cc1)c2c(nnc(n2)O)c3ccccc3
InChi [?]:
InChI=1/C15H11N3O/c19-15-16-13(11-7-3-1-4-8-11)14(17-18-15)12-9-5-2-6-10-12/h1-10H,(H,16,18,19)
InChi Info:
AuxInfo=1/1/N:1,17,2,6,16,18,3,5,15,19,4,14,7,8,11,12,9,10,13/E:(3,4)(5,6)(7,8)(9,10)/rA:19nCCCCCCCCNNCNOCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s9;d10;d7s11;s11;s8;s14;d15;s16;d17;d14s18;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H11N3O |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.47388 |
Area: | 414.341 |
Solvation: | -1.88465 |
Coulombic: | -32.222 |
Bond Count [?]
All: | 21 |
Single: | 12 |
Double: | 9 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 249.267 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 1 |
XLogP: | 3.76 |
LogP (Chemaxon): | 3.15 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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