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Chemical ID: 4237692
Chemical ID:
4237692
Name [?]:
7-[(2-fluorophenyl)methoxy]-3-(2-methoxyphenyl)-chromen-4-one
SMILES [?]:
COc1ccccc1c2coc3cc(ccc3c2=O)OCc4ccccc4F
InChi [?]:
InChI=1/C23H17FO4/c1-26-21-9-5-3-7-17(21)19-14-28-22-12-16(10-11-18(22)23(19)25)27-13-15-6-2-4-8-20(15)24/h2-12,14H,13H2,1H3
InChi Info:
AuxInfo=1/0/N:1,24,6,25,5,23,7,26,4,15,16,13,21,10,22,14,8,17,9,27,3,12,18,28,19,2,20,11/rA:28nCOCCCCCCCCOCCCCCCCOOCCCCCCCF/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;d9;s10;s11;s12;d13;s14;d15;d12s16;s9s17;d18;s14;s20;s21;s22;d23;s24;d25;d22s26;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H17FO4 |
All Atoms: | 28 |
Heavy Atoms: | 28 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.13955 |
Area: | 574.841 |
Solvation: | -5.23148 |
Coulombic: | -36.7899 |
Bond Count [?]
All: | 31 |
Single: | 20 |
Double: | 11 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 376.377 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 5.24 |
LogP (Chemaxon): | 5.27 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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