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Chemical ID: 5781466
Chemical ID:
5781466
Name [?]:
7-[(2-chlorophenyl)methoxy]-2-methyl-3-phenoxy-chromen-4-one
SMILES [?]:
Cc1c(c(=O)c2ccc(cc2o1)OCc3ccccc3Cl)Oc4ccccc4
InChi [?]:
InChI=1/C23H17ClO4/c1-15-23(28-17-8-3-2-4-9-17)22(25)19-12-11-18(13-21(19)27-15)26-14-16-7-5-6-10-20(16)24/h2-13H,14H2,1H3
InChi Info:
AuxInfo=1/0/N:1,26,25,27,17,18,16,24,28,19,8,7,10,14,2,15,23,9,6,20,11,4,3,21,5,13,12,22/E:(3,4)(8,9)/rA:28nCCCCOCCCCCCOOCCCCCCCClOCCCCCC/rB:s1;d2;s3;d4;s4;s6;d7;s8;d9;d6s10;s2s11;s9;s13;s14;s15;d16;s17;d18;d15s19;s20;s3;s22;s23;d24;s25;d26;d23s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H17ClO4 |
All Atoms: | 28 |
Heavy Atoms: | 28 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.3216 |
Area: | 597.495 |
Solvation: | -3.61575 |
Coulombic: | -35.4238 |
Bond Count [?]
All: | 31 |
Single: | 20 |
Double: | 11 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 392.831 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 5.97 |
LogP (Chemaxon): | 5.66 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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