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Chemical ID: 4758908
Chemical ID:
4758908
Name [?]:
2,5-bis(4-phenylphenyl)oxazole
SMILES [?]:
c1ccc(cc1)c2ccc(cc2)c3cnc(o3)c4ccc(cc4)c5ccccc5
InChi [?]:
InChI=1/C27H19NO/c1-3-7-20(8-4-1)22-11-15-24(16-12-22)26-19-28-27(29-26)25-17-13-23(14-18-25)21-9-5-2-6-10-21/h1-19H
InChi Info:
AuxInfo=1/0/N:1,27,2,6,26,28,3,5,25,29,8,12,20,22,9,11,19,23,14,4,24,7,21,10,18,13,16,15,17/E:(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)(17,18)/rA:29nCCCCCCCCCCCCCCNCOCCCCCCCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s9;d10;d7s11;s10;d13;s14;d15;s13s16;s16;s18;d19;s20;d21;d18s22;s21;s24;d25;s26;d27;d24s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C27H19NO |
All Atoms: | 29 |
Heavy Atoms: | 29 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 13.2036 |
Area: | 624.225 |
Solvation: | -2.40207 |
Coulombic: | -20.2868 |
Bond Count [?]
All: | 33 |
Single: | 19 |
Double: | 14 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 373.446 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 0 |
XLogP: | 7.64 |
LogP (Chemaxon): | 7.04 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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