Chemical ID: 4189041

c1c(cc(c(c1Cl)OCCCN2CCOCC2)Cl)Cl
Chemical ID:
4189041
Name [?]:
4-[3-(2,4,6-trichlorophenoxy)propyl]morpholine
SMILES [?]:
c1c(cc(c(c1Cl)OCCCN2CCOCC2)Cl)Cl
InChi [?]:
InChI=1/C13H16Cl3NO2/c14-10-8-11(15)13(12(16)9-10)19-5-1-2-17-3-6-18-7-4-17/h8-9H,1-7H2
InChi Info:
AuxInfo=1/0/N:10,11,13,17,9,14,16,1,3,2,6,4,5,19,7,18,12,15,8/E:(3,4)(6,7)(8,9)(11,12)(15,16)/rA:19nCCCCCCClOCCCNCCOCCClCl/rB:s1;d2;s3;d4;d1s5;s6;s5;s8;s9;s10;s11;s12;s13;s14;s15;s12s16;s4;s2;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H16Cl3NO2
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:9.20061
Area:513.922
Solvation:-3.64743
Coulombic:-21.9047
Bond Count [?]
All:20
Single:17
Double:3
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:324.63
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:3.61
LogP (Chemaxon):3.04

Name Annotations

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Descriptor Annotations

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