Chemical ID: 4294109

c1cc(c(c(c1)Cl)Cl)OCCCCNCCO
Chemical ID:
4294109
Name [?]:
2-[4-(2,3-dichlorophenoxy)butylamino]ethanol
SMILES [?]:
c1cc(c(c(c1)Cl)Cl)OCCCCNCCO
InChi [?]:
InChI=1/C12H17Cl2NO2/c13-10-4-3-5-11(12(10)14)17-9-2-1-6-15-7-8-16/h3-5,15-16H,1-2,6-9H2
InChi Info:
AuxInfo=1/0/N:12,11,1,6,2,13,15,16,10,5,3,4,7,8,14,17,9/rA:17nCCCCCCClClOCCCCNCCO/rB:s1;d2;s3;d4;d1s5;s5;s4;s3;s9;s10;s11;s12;s13;s14;s15;s16;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H17Cl2NO2
All Atoms:17
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:8.21692
Area:493.827
Solvation:-4.12877
Coulombic:-33.8041
Bond Count [?]
All:17
Single:14
Double:3
Rotors:8
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:278.174
H-Bond Donors:2
H-Bond Acceptors:3
XLogP:2.8
LogP (Chemaxon):2.51

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Descriptor Annotations

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