Chemical ID: 4294601

c1cc(c(cc1Cl)Cl)OCCCCCNCCO
Chemical ID:
4294601
Name [?]:
2-[5-(2,4-dichlorophenoxy)pentylamino]ethanol
SMILES [?]:
c1cc(c(cc1Cl)Cl)OCCCCCNCCO
InChi [?]:
InChI=1/C13H19Cl2NO2/c14-11-4-5-13(12(15)10-11)18-9-3-1-2-6-16-7-8-17/h4-5,10,16-17H,1-3,6-9H2
InChi Info:
AuxInfo=1/0/N:12,13,11,1,2,14,16,17,10,5,6,4,3,7,8,15,18,9/rA:18nCCCCCCClClOCCCCCNCCO/rB:s1;d2;s3;d4;d1s5;s6;s4;s3;s9;s10;s11;s12;s13;s14;s15;s16;s17;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H19Cl2NO2
All Atoms:18
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:8.96155
Area:528.72
Solvation:-4.25646
Coulombic:-33.6907
Bond Count [?]
All:18
Single:15
Double:3
Rotors:9
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:292.201
H-Bond Donors:2
H-Bond Acceptors:3
XLogP:3.16
LogP (Chemaxon):2.9

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Descriptor Annotations

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