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Chemical ID: 4623633
Chemical ID:
4623633
Name [?]:
1-(4-isopropoxyphenyl)-3-isopropylamino-propan-1-one
SMILES [?]:
CC(C)NCCC(=O)c1ccc(cc1)OC(C)C
InChi [?]:
InChI=1/C15H23NO2/c1-11(2)16-10-9-15(17)13-5-7-14(8-6-13)18-12(3)4/h5-8,11-12,16H,9-10H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,3,17,18,10,14,11,13,6,5,2,16,9,12,7,4,8,15/E:(1,2)(3,4)(5,6)(7,8)/rA:18nCCCNCCCOCCCCCCOCCC/rB:s1;s2;s2;s4;s5;s6;d7;s7;s9;d10;s11;d12;d9s13;s12;s15;s16;s16;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H23NO2 |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.15733 |
Area: | 481.873 |
Solvation: | -2.88949 |
Coulombic: | -24.9886 |
Bond Count [?]
All: | 18 |
Single: | 14 |
Double: | 4 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 249.349 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 2.99 |
LogP (Chemaxon): | 2.3 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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