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Chemical ID: 4569365
Chemical ID:
4569365
Name [?]:
8-(dimethylaminomethyl)-4-ethyl-7-hydroxy-chromen-2-one
SMILES [?]:
CCc1cc(=O)oc2c1ccc(c2CN(C)C)O
InChi [?]:
InChI=1/C14H17NO3/c1-4-9-7-13(17)18-14-10(9)5-6-12(16)11(14)8-15(2)3/h5-7,16H,4,8H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,16,17,2,10,11,4,14,3,9,13,12,5,8,15,18,6,7/E:(2,3)/rA:18nCCCCCOOCCCCCCCNCCO/rB:s1;s2;d3;s4;d5;s5;s7;s3s8;d9;s10;d11;d8s12;s13;s14;s15;s15;s12;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H17NO3 |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.15255 |
Area: | 419.642 |
Solvation: | -3.3385 |
Coulombic: | -39.459 |
Bond Count [?]
All: | 19 |
Single: | 14 |
Double: | 5 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 247.29 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 1.94 |
LogP (Chemaxon): | 2.41 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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