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Chemical ID: 6575368
Chemical ID:
6575368
Name [?]:
[3-[[5-oxo-2-(4-phenoxyphenyl)-oxazol-4-ylidene]methyl]phenyl] acetate
SMILES [?]:
CC(=O)Oc1cccc(c1)C=C2C(=O)OC(=N2)c3ccc(cc3)Oc4ccccc4
InChi [?]:
InChI=1/C24H17NO5/c1-16(26)28-21-9-5-6-17(14-21)15-22-24(27)30-23(25-22)18-10-12-20(13-11-18)29-19-7-3-2-4-8-19/h2-15H,1H3
InChi Info:
AuxInfo=1/0/N:1,28,27,29,7,8,26,30,6,19,23,20,22,10,11,2,9,18,25,21,5,12,16,13,17,3,14,4,24,15/E:(3,4)(7,8)(10,11)(12,13)/rA:30nCCOOCCCCCCCCCOOCNCCCCCCOCCCCCC/rB:s1;d2;s2;s4;s5;d6;s7;d8;d5s9;s9;w11;s12;d13;s13;s15;s12d16;s16;s18;d19;s20;d21;d18s22;s21;s24;s25;d26;s27;d28;d25s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H17NO5 |
All Atoms: | 30 |
Heavy Atoms: | 30 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.8673 |
Area: | 630.664 |
Solvation: | -3.89926 |
Coulombic: | -53.7582 |
Bond Count [?]
All: | 33 |
Single: | 20 |
Double: | 13 |
Rotors: | 6 |
Chiral: | 1 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 399.396 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 6 |
XLogP: | 5.04 |
LogP (Chemaxon): | 4.58 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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