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Chemical ID: 7056061
Chemical ID:
7056061
Name [?]:
2-[2-[4-(2-ethoxyethoxy)phenoxy]acetyl]amino-3-methyl-butanoic acid
SMILES [?]:
CCOCCOc1ccc(cc1)OCC(=O)NC(C(C)C)C(=O)O
InChi [?]:
InChI=1/C17H25NO6/c1-4-22-9-10-23-13-5-7-14(8-6-13)24-11-15(19)18-16(12(2)3)17(20)21/h5-8,12,16H,4,9-11H2,1-3H3,(H,18,19)(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,20,21,2,8,12,9,11,4,5,14,19,7,10,15,18,22,17,16,23,24,3,6,13/E:(2,3)(5,6)(7,8)(20,21)/rA:24cCCOCCOCCCCCCOCCONCCCCCOO/rB:s1;s2;s3;s4;s5;s6;s7;d8;s9;d10;d7s11;s10;s13;s14;d15;s15;s17;s18;s19;s19;s18;d22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H25NO6 |
All Atoms: | 49 |
Heavy Atoms: | 24 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 7.12688 |
Area: | 585.34 |
Solvation: | -7.50663 |
Coulombic: | -70.0182 |
Bond Count [?]
All: | 24 |
Single: | 19 |
Double: | 5 |
Rotors: | 12 |
Chiral: | 0 |
Rigid Segments: | 9 |
Chemical Properties
Molecular Weight: | 339.384 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 7 |
XLogP: | 1.82 |
LogP (Chemaxon): | 1.59 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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