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Chemical ID: 7107570
Chemical ID:
7107570
Name [?]:
2-[2-chloro-6-ethoxy-4-(2-hydroxyethylaminomethyl)phenoxy]acetamide
SMILES [?]:
CCOc1cc(cc(c1OCC(=O)N)Cl)CNCCO
InChi [?]:
InChI=1/C13H19ClN2O4/c1-2-19-11-6-9(7-16-3-4-17)5-10(14)13(11)20-8-12(15)18/h5-6,16-17H,2-4,7-8H2,1H3,(H2,15,18)
InChi Info:
AuxInfo=1/1/N:1,2,18,19,7,5,16,11,6,8,4,12,9,15,14,17,20,13,3,10/rA:20nCCOCCCCCCOCCONClCNCCO/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;s11;d12;s12;s8;s6;s16;s17;s18;s19;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H19ClN2O4 |
All Atoms: | 39 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 5.77308 |
Area: | 524.909 |
Solvation: | -7.34966 |
Coulombic: | -64.2182 |
Bond Count [?]
All: | 20 |
Single: | 16 |
Double: | 4 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 302.754 |
H-Bond Donors: | 4 |
H-Bond Acceptors: | 6 |
XLogP: | 0.09 |
LogP (Chemaxon): | 0.16 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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