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Chemical ID: 6874764
Chemical ID:
6874764
Name [?]:
3-benzyloxy-2-(2-chlorophenyl)-6-methyl-chromen-4-one
SMILES [?]:
Cc1ccc2c(c1)c(=O)c(c(o2)c3ccccc3Cl)OCc4ccccc4
InChi [?]:
InChI=1/C23H17ClO3/c1-15-11-12-20-18(13-15)21(25)23(26-14-16-7-3-2-4-8-16)22(27-20)17-9-5-6-10-19(17)24/h2-13H,14H2,1H3
InChi Info:
AuxInfo=1/0/N:1,25,24,26,15,16,23,27,14,17,3,4,7,21,2,22,13,6,18,5,8,11,10,19,9,20,12/E:(3,4)(7,8)/rA:27nCCCCCCCCOCCOCCCCCCClOCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;s8;d10;s5s11;s11;s13;d14;s15;d16;d13s17;s18;s10;s20;s21;s22;d23;s24;d25;d22s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H17ClO3 |
All Atoms: | 44 |
Heavy Atoms: | 27 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.0677 |
Area: | 560.281 |
Solvation: | -2.9393 |
Coulombic: | -29.9498 |
Bond Count [?]
All: | 30 |
Single: | 19 |
Double: | 11 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 376.832 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 6.64 |
LogP (Chemaxon): | 6.13 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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