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Chemical ID: 6676242
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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Experimental Annotations
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Descriptor Annotations
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