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Chemical ID: 4294109
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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