Chemical ID: 7107570

CCOc1cc(cc(c1OCC(=O)N)Cl)CNCCO
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

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