ChemDB: Chemical Search
Download
Chemical ID: 7039266
Chemical ID:
7039266
Name [?]:
[2-(3-oxo-3-phenyl-prop-1-enyl)phenyl] 2-methoxybenzoate
SMILES [?]:
COc1ccccc1C(=O)Oc2ccccc2C=CC(=O)c3ccccc3
InChi [?]:
InChI=1/C23H18O4/c1-26-22-14-8-6-12-19(22)23(25)27-21-13-7-5-11-18(21)15-16-20(24)17-9-3-2-4-10-17/h2-16H,1H3
InChi Info:
AuxInfo=1/0/N:1,25,24,26,15,6,14,5,23,27,16,7,13,4,18,19,22,17,8,20,12,3,9,21,10,2,11/E:(3,4)(9,10)/rA:27nCOCCCCCCCOOCCCCCCCCCOCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;d9;s9;s11;s12;d13;s14;d15;d12s16;s17;w18;s19;d20;s20;s22;d23;s24;d25;d22s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H18O4 |
All Atoms: | 45 |
Heavy Atoms: | 27 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.5397 |
Area: | 593.314 |
Solvation: | -4.29317 |
Coulombic: | -39.0748 |
Bond Count [?]
All: | 29 |
Single: | 17 |
Double: | 12 |
Rotors: | 7 |
Chiral: | 1 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 358.387 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 5.26 |
LogP (Chemaxon): | 4.99 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical | Mix Source | External ID | Descriptor | Value |
---|
Experimental Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|
Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|