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Chemical ID: 4414716
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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