Chemical ID: 4413893

c1cc(c(cc1OCCCCNCCO)Cl)Cl
Chemical ID:
4413893
Name [?]:
2-[4-(3,4-dichlorophenoxy)butylamino]ethanol
SMILES [?]:
c1cc(c(cc1OCCCCNCCO)Cl)Cl
InChi [?]:
InChI=1/C12H17Cl2NO2/c13-11-4-3-10(9-12(11)14)17-8-2-1-5-15-6-7-16/h3-4,9,15-16H,1-2,5-8H2
InChi Info:
AuxInfo=1/0/N:10,9,1,2,11,13,14,8,5,6,3,4,17,16,12,15,7/rA:17nCCCCCCOCCCCNCCOClCl/rB:s1;d2;s3;d4;d1s5;s6;s7;s8;s9;s10;s11;s12;s13;s14;s4;s3;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H17Cl2NO2
All Atoms:17
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:8.45687
Area:498.742
Solvation:-4.01169
Coulombic:-33.3319
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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