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Chemical ID: 4665133
Chemical ID:
4665133
Name [?]:
2,5-diphenyloxazole
SMILES [?]:
c1ccc(cc1)c2cnc(o2)c3ccccc3
InChi [?]:
InChI=1/C15H11NO/c1-3-7-12(8-4-1)14-11-16-15(17-14)13-9-5-2-6-10-13/h1-11H
InChi Info:
AuxInfo=1/0/N:1,15,2,6,14,16,3,5,13,17,8,4,12,7,10,9,11/E:(3,4)(5,6)(7,8)(9,10)/rA:17nCCCCCCCCNCOCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;d7;s8;d9;s7s10;s10;s12;d13;s14;d15;d12s16;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H11NO |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.68233 |
Area: | 412.705 |
Solvation: | -1.6353 |
Coulombic: | -17.5138 |
Bond Count [?]
All: | 19 |
Single: | 11 |
Double: | 8 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 221.254 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 0 |
XLogP: | 3.76 |
LogP (Chemaxon): | 3.67 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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