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Chemical ID: 6847248
Chemical ID:
6847248
Name [?]:
2-(2-chlorophenyl)-3-methoxy-5,7-dimethyl-chromen-4-one
SMILES [?]:
Cc1cc(c2c(c1)oc(c(c2=O)OC)c3ccccc3Cl)C
InChi [?]:
InChI=1/C18H15ClO3/c1-10-8-11(2)15-14(9-10)22-17(18(21-3)16(15)20)12-6-4-5-7-13(12)19/h4-9H,1-3H3
InChi Info:
AuxInfo=1/0/N:1,22,14,17,18,16,19,3,7,2,4,15,20,6,5,11,9,10,21,12,13,8/rA:22nCCCCCCCOCCCOOCCCCCCCClC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s5s10;d11;s10;s13;s9;s15;d16;s17;d18;d15s19;s20;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H15ClO3 |
All Atoms: | 37 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.3715 |
Area: | 477.943 |
Solvation: | -2.57708 |
Coulombic: | -27.8487 |
Bond Count [?]
All: | 24 |
Single: | 16 |
Double: | 8 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 314.763 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 5.37 |
LogP (Chemaxon): | 4.82 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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