ChemDB: Chemical Search
Download
Chemical ID: 6451437
Chemical ID:
6451437
Name [?]:
3-benzyl-4-methoxy-chromen-2-one
SMILES [?]:
COc1c2ccccc2oc(=O)c1Cc3ccccc3
InChi [?]:
InChI=1/C17H14O3/c1-19-16-13-9-5-6-10-15(13)20-17(18)14(16)11-12-7-3-2-4-8-12/h2-10H,11H2,1H3
InChi Info:
AuxInfo=1/0/N:1,18,17,19,6,7,16,20,5,8,14,15,4,13,9,3,11,12,2,10/E:(3,4)(7,8)/rA:20nCOCCCCCCCOCOCCCCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;d11;d3s11;s13;s14;s15;d16;s17;d18;d15s19;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H14O3 |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.17972 |
Area: | 436.192 |
Solvation: | -2.72508 |
Coulombic: | -28.9858 |
Bond Count [?]
All: | 22 |
Single: | 14 |
Double: | 8 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 266.291 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 3.69 |
LogP (Chemaxon): | 3.94 |
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 |
---|