Chemical ID: 4414716

c1cc(c(cc1OCCCNCCO)Cl)Cl
Chemical ID:
4414716
Name [?]:
2-[3-(3,4-dichlorophenoxy)propylamino]ethanol
SMILES [?]:
c1cc(c(cc1OCCCNCCO)Cl)Cl
InChi [?]:
InChI=1/C11H15Cl2NO2/c12-10-3-2-9(8-11(10)13)16-7-1-4-14-5-6-15/h2-3,8,14-15H,1,4-7H2
InChi Info:
AuxInfo=1/0/N:9,1,2,10,12,13,8,5,6,3,4,16,15,11,14,7/rA:16nCCCCCCOCCCNCCOClCl/rB:s1;d2;s3;d4;d1s5;s6;s7;s8;s9;s10;s11;s12;s13;s4;s3;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H15Cl2NO2
All Atoms:16
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:7.64301
Area:471.595
Solvation:-4.14687
Coulombic:-32.9054
Bond Count [?]
All:16
Single:13
Double:3
Rotors:7
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:264.148
H-Bond Donors:2
H-Bond Acceptors:3
XLogP:2.44
LogP (Chemaxon):2.06

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