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Chemical ID: 4708978
Chemical ID:
4708978
Name [?]:
5-(4-pyrazol-1-ylphenyl)oxazole
SMILES [?]:
c1cnn(c1)c2ccc(cc2)c3cnco3
InChi [?]:
InChI=1/C12H9N3O/c1-6-14-15(7-1)11-4-2-10(3-5-11)12-8-13-9-16-12/h1-9H
InChi Info:
AuxInfo=1/0/N:1,8,10,7,11,2,5,13,15,9,6,12,14,3,4,16/E:(2,3)(4,5)/rA:16nCCNNCCCCCCCCCNCO/rB:s1;d2;s3;d1s4;s4;s6;d7;s8;d9;d6s10;s9;d12;s13;d14;s12s15;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H9N3O |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.62657 |
Area: | 389.582 |
Solvation: | -3.11297 |
Coulombic: | -16.2395 |
Bond Count [?]
All: | 18 |
Single: | 11 |
Double: | 7 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 211.219 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 0 |
XLogP: | 1.95 |
LogP (Chemaxon): | 1.33 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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