ChemDB: Chemical Search
Download
Chemical ID: 6874902
Chemical ID:
6874902
Name [?]:
2-(4-chlorophenyl)-6-methyl-3-(o-tolylmethoxy)chromen-4-one
SMILES [?]:
Cc1ccc2c(c1)c(=O)c(c(o2)c3ccc(cc3)Cl)OCc4ccccc4C
InChi [?]:
InChI=1/C24H19ClO3/c1-15-7-12-21-20(13-15)22(26)24(27-14-18-6-4-3-5-16(18)2)23(28-21)17-8-10-19(25)11-9-17/h3-13H,14H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,28,25,24,26,23,3,14,18,15,17,4,7,21,2,27,13,22,16,6,5,8,11,10,19,9,20,12/E:(8,9)(10,11)/rA:28nCCCCCCCCOCCOCCCCCCClOCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;s8;d10;s5s11;s11;s13;d14;s15;d16;d13s17;s16;s10;s20;s21;s22;d23;s24;d25;d22s26;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H19ClO3 |
All Atoms: | 47 |
Heavy Atoms: | 28 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 12.1752 |
Area: | 600.294 |
Solvation: | -2.83214 |
Coulombic: | -29.8976 |
Bond Count [?]
All: | 31 |
Single: | 20 |
Double: | 11 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 390.859 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 7.08 |
LogP (Chemaxon): | 6.6 |
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 |
---|