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Chemical ID: 4413893
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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