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Chemical ID: 6887419
Chemical ID:
6887419
Name [?]:
[3-(2-naphthyloxy)-4-oxo-chromen-7-yl] 4-phenylbenzoate
SMILES [?]:
c1ccc(cc1)c2ccc(cc2)C(=O)Oc3ccc4c(c3)occ(c4=O)Oc5ccc6ccccc6c5
InChi [?]:
InChI=1/C32H20O5/c33-31-28-17-16-27(37-32(34)24-12-10-23(11-13-24)21-6-2-1-3-7-21)19-29(28)35-20-30(31)36-26-15-14-22-8-4-5-9-25(22)18-26/h1-20H
InChi Info:
AuxInfo=1/0/N:1,2,6,33,34,3,5,32,35,8,12,9,11,30,29,17,18,37,21,23,4,31,7,10,36,28,16,19,20,24,25,13,26,14,22,27,15/E:(2,3)(6,7)(10,11)(12,13)/rA:37nCCCCCCCCCCCCCOOCCCCCCOCCCOOCCCCCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s9;d10;d7s11;s10;d13;s13;s15;s16;d17;s18;d19;d16s20;s20;s22;d23;s19s24;d25;s24;s27;s28;d29;s30;s31;d32;s33;d34;d31s35;d28s36;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C32H20O5 |
All Atoms: | 57 |
Heavy Atoms: | 37 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 14.1449 |
Area: | 730.381 |
Solvation: | -4.11466 |
Coulombic: | -48.5203 |
Bond Count [?]
All: | 42 |
Single: | 25 |
Double: | 17 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 484.498 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 8.19 |
LogP (Chemaxon): | 7.52 |
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
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
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