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Chemical ID: 6856292
Chemical ID:
6856292
Name [?]:
3-acetonyloxy-2-(4-chlorophenyl)-7-methyl-chromen-4-one
SMILES [?]:
Cc1ccc2c(c1)oc(c(c2=O)OCC(=O)C)c3ccc(cc3)Cl
InChi [?]:
InChI=1/C19H15ClO4/c1-11-3-8-15-16(9-11)24-18(13-4-6-14(20)7-5-13)19(17(15)22)23-10-12(2)21/h3-9H,10H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,17,3,19,23,20,22,4,7,14,2,15,18,21,5,6,11,9,10,24,16,12,13,8/E:(4,5)(6,7)/rA:24nCCCCCCCOCCCOOCCOCCCCCCCCl/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s5s10;d11;s10;s13;s14;d15;s15;s9;s18;d19;s20;d21;d18s22;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H15ClO4 |
All Atoms: | 39 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.51873 |
Area: | 536.042 |
Solvation: | -4.88232 |
Coulombic: | -33.1936 |
Bond Count [?]
All: | 26 |
Single: | 17 |
Double: | 9 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 342.773 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 4.58 |
LogP (Chemaxon): | 4.44 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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