Chemical ID: 5566586

c1cc(c(c(c1)Cl)OCC(CN2CCCC2)O)Cl
Chemical ID:
5566586
Name [?]:
1-(2,6-dichlorophenoxy)-3-pyrrolidin-1-yl-propan-2-ol
SMILES [?]:
c1cc(c(c(c1)Cl)OCC(CN2CCCC2)O)Cl
InChi [?]:
InChI=1/C13H17Cl2NO2/c14-11-4-3-5-12(15)13(11)18-9-10(17)8-16-6-1-2-7-16/h3-5,10,17H,1-2,6-9H2
InChi Info:
AuxInfo=1/0/N:14,15,1,2,6,13,16,11,9,10,3,5,4,18,7,12,17,8/E:(1,2)(4,5)(6,7)(11,12)(14,15)/rA:18cCCCCCCClOCCCNCCCCOCl/rB:s1;d2;s3;d4;d1s5;s5;s4;s8;s9;s10;s11;s12;s13;s14;s12s15;s10;s3;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H17Cl2NO2
All Atoms:18
Heavy Atoms:18
Chiral Atoms:1
ZAP Information [?]
Total:7.53671
Area:469.702
Solvation:-4.20585
Coulombic:-30.2941
Bond Count [?]
All:19
Single:16
Double:3
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:290.185
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:2.87
LogP (Chemaxon):2.76

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Descriptor Annotations

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