Chemical ID: 4179869

c1cc(c(cc1Cl)Cl)OCCN2CCCC2
Chemical ID:
4179869
Name [?]:
1-[2-(2,4-dichlorophenoxy)ethyl]pyrrolidine
SMILES [?]:
c1cc(c(cc1Cl)Cl)OCCN2CCCC2
InChi [?]:
InChI=1/C12H15Cl2NO/c13-10-3-4-12(11(14)9-10)16-8-7-15-5-1-2-6-15/h3-4,9H,1-2,5-8H2
InChi Info:
AuxInfo=1/0/N:14,15,1,2,13,16,11,10,5,6,4,3,7,8,12,9/E:(1,2)(5,6)/rA:16nCCCCCCClClOCCNCCCC/rB:s1;d2;s3;d4;d1s5;s6;s4;s3;s9;s10;s11;s12;s13;s14;s12s15;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H15Cl2NO
All Atoms:16
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:8.09955
Area:445.096
Solvation:-3.02785
Coulombic:-12.957
Bond Count [?]
All:17
Single:14
Double:3
Rotors:4
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:260.159
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:3.54
LogP (Chemaxon):3.13

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Descriptor Annotations

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