Chemical ID: 6676242

CC(C)NCC(=O)c1cc(cc(c1)O)O
Chemical ID:
6676242
Name [?]:
1-(3,5-dihydroxyphenyl)-2-isopropylamino-ethanone
SMILES [?]:
CC(C)NCC(=O)c1cc(cc(c1)O)O
InChi [?]:
InChI=1/C11H15NO3/c1-7(2)12-6-11(15)8-3-9(13)5-10(14)4-8/h3-5,7,12-14H,6H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,3,9,13,11,5,2,8,10,12,6,4,15,14,7/E:(1,2)(3,4)(9,10)(13,14)/rA:15nCCCNCCOCCCCCCOO/rB:s1;s2;s2;s4;s5;d6;s6;s8;d9;s10;d11;d8s12;s12;s10;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H15NO3
All Atoms:15
Heavy Atoms:15
Chiral Atoms:0
ZAP Information [?]
Total:5.90623
Area:406.295
Solvation:-4.25114
Coulombic:-47.2085
Bond Count [?]
All:15
Single:11
Double:4
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:209.242
H-Bond Donors:3
H-Bond Acceptors:4
XLogP:1.22
LogP (Chemaxon):0.55

Name Annotations

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Descriptor Annotations

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