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Chemical ID: 4557094
Chemical ID:
4557094
Name [?]:
7-hydroxy-3-(4-methoxyphenoxy)-2-methyl-chromen-4-one
SMILES [?]:
Cc1c(c(=O)c2ccc(cc2o1)O)Oc3ccc(cc3)OC
InChi [?]:
InChI=1/C17H14O5/c1-10-17(22-13-6-4-12(20-2)5-7-13)16(19)14-8-3-11(18)9-15(14)21-10/h3-9,18H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,22,8,17,19,16,20,7,10,2,9,18,15,6,11,4,3,13,5,21,12,14/E:(4,5)(6,7)/rA:22nCCCCOCCCCCCOOOCCCCCCOC/rB:s1;d2;s3;d4;s4;s6;d7;s8;d9;d6s10;s2s11;s9;s3;s14;s15;d16;s17;d18;d15s19;s18;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H14O5 |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.11112 |
Area: | 474.197 |
Solvation: | -4.74381 |
Coulombic: | -47.27 |
Bond Count [?]
All: | 24 |
Single: | 16 |
Double: | 8 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 298.29 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 3.23 |
LogP (Chemaxon): | 3.08 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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