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Chemical ID: 6887493
Chemical ID:
6887493
Name [?]:
[3-(4-ethylphenoxy)-4-oxo-chromen-7-yl] 2,2-diphenylacetate
SMILES [?]:
CCc1ccc(cc1)Oc2coc3cc(ccc3c2=O)OC(=O)C(c4ccccc4)c5ccccc5
InChi [?]:
InChI=1/C31H24O5/c1-2-21-13-15-24(16-14-21)35-28-20-34-27-19-25(17-18-26(27)30(28)32)36-31(33)29(22-9-5-3-6-10-22)23-11-7-4-8-12-23/h3-20,29H,2H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,28,34,27,29,33,35,26,30,32,36,4,8,5,7,16,17,14,11,3,25,31,6,15,18,13,10,24,19,22,20,23,12,9,21/E:(3,4)(5,6,7,8)(9,10,11,12)(13,14)(15,16)(22,23)/rA:36nCCCCCCCCOCCOCCCCCCCOOCOCCCCCCCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;d10;s11;s12;s13;d14;s15;d16;d13s17;s10s18;d19;s15;s21;d22;s22;s24;s25;d26;s27;d28;d25s29;s24;s31;d32;s33;d34;d31s35;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C31H24O5 |
All Atoms: | 60 |
Heavy Atoms: | 36 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 13.7339 |
Area: | 723.399 |
Solvation: | -4.35104 |
Coulombic: | -47.3335 |
Bond Count [?]
All: | 40 |
Single: | 25 |
Double: | 15 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 476.519 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 7.37 |
LogP (Chemaxon): | 7.59 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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Experimental Annotations
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Descriptor Annotations
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