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Chemical ID: 5784527
Chemical ID:
5784527
Name [?]:
6-(4-ethoxybenzoyl)aminohexanoate
SMILES [?]:
CCOc1ccc(cc1)C(=O)NCCCCCC(=O)[O-]
InChi [?]:
InChI=1/C15H21NO4/c1-2-20-13-9-7-12(8-10-13)15(19)16-11-5-3-4-6-14(17)18/h7-10H,2-6,11H2,1H3,(H,16,19)(H,17,18)/p-1
InChi Info:
AuxInfo=1/1/N:1,2,15,16,14,17,6,8,5,9,13,7,4,18,10,12,19,20,11,3/E:(7,8)(9,10)(17,18)/rA:20nCCOCCCCCCCONCCCCCCOO-/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;d10;s10;s12;s13;s14;s15;s16;s17;d18;s18;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H20NO4- |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | -32.676 |
Area: | 528.879 |
Solvation: | -45.898 |
Coulombic: | -27.7362 |
Bond Count [?]
All: | 20 |
Single: | 15 |
Double: | 5 |
Rotors: | 10 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 278.324 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 1.9 |
LogP (Chemaxon): | 1.8 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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