ChemDB: Chemical Search
Download
Chemical ID: 4855181
Chemical ID:
4855181
Name [?]:
7-methoxy-2-methyl-3-phenyl-chromen-4-one
SMILES [?]:
Cc1c(c(=O)c2ccc(cc2o1)OC)c3ccccc3
InChi [?]:
InChI=1/C17H14O3/c1-11-16(12-6-4-3-5-7-12)17(18)14-9-8-13(19-2)10-15(14)20-11/h3-10H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,14,18,17,19,16,20,8,7,10,2,15,9,6,11,3,4,5,13,12/E:(4,5)(6,7)/rA:20nCCCCOCCCCCCOOCCCCCCC/rB:s1;d2;s3;d4;s4;s6;d7;s8;d9;d6s10;s2s11;s9;s13;s3;s15;d16;s17;d18;d15s19;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H14O3 |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.86053 |
Area: | 446.421 |
Solvation: | -3.29999 |
Coulombic: | -24.6351 |
Bond Count [?]
All: | 22 |
Single: | 14 |
Double: | 8 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 266.291 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 3.69 |
LogP (Chemaxon): | 3.62 |
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 |
---|