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Chemical ID: 4752128
Chemical ID:
4752128
Name [?]:
4-(4-fluorophenyl)-3-(2-methoxyphenyl)-oxazol-2-one
SMILES [?]:
COc1ccccc1n2c(coc2=O)c3ccc(cc3)F
InChi [?]:
InChI=1/C16H12FNO3/c1-20-15-5-3-2-4-13(15)18-14(10-21-16(18)19)11-6-8-12(17)9-7-11/h2-10H,1H3
InChi Info:
AuxInfo=1/0/N:1,6,5,7,4,16,20,17,19,11,15,18,8,10,3,13,21,9,14,2,12/E:(6,7)(8,9)/rA:21nCOCCCCCCNCCOCOCCCCCCF/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;d10;s11;s9s12;d13;s10;s15;d16;s17;d18;d15s19;s18;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H12FNO3 |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.58209 |
Area: | 440.473 |
Solvation: | -4.42973 |
Coulombic: | -39.8876 |
Bond Count [?]
All: | 23 |
Single: | 15 |
Double: | 8 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 285.27 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 3.68 |
LogP (Chemaxon): | 3.43 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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