Chemical ID: 4569365

CCc1cc(=O)oc2c1ccc(c2CN(C)C)O
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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Descriptor Annotations

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