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Chemical ID: 5567437
Chemical ID:
5567437
Name [?]:
2-phenyl-4-phenylazo-oxazol-5-ol
SMILES [?]:
c1ccc(cc1)c2nc(c(o2)O)N=Nc3ccccc3
InChi [?]:
InChI=1/C15H11N3O2/c19-15-13(18-17-12-9-5-2-6-10-12)16-14(20-15)11-7-3-1-4-8-11/h1-10,19H
InChi Info:
AuxInfo=1/0/N:1,18,2,6,17,19,3,5,16,20,4,15,9,7,10,8,14,13,12,11/E:(3,4)(5,6)(7,8)(9,10)/rA:20nCCCCCCCNCCOONNCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;d7;s8;d9;s7s10;s10;s9;w13;s14;s15;d16;s17;d18;d15s19;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H11N3O2 |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.82064 |
Area: | 440.333 |
Solvation: | -2.18768 |
Coulombic: | -40.2584 |
Bond Count [?]
All: | 22 |
Single: | 13 |
Double: | 9 |
Rotors: | 3 |
Chiral: | 1 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 265.267 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 4.49 |
LogP (Chemaxon): | 4.88 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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