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Chemical ID: 4507472
Chemical ID:
4507472
Name [?]:
2-[2-(2-chlorophenoxy)ethylamino]ethanol
SMILES [?]:
c1ccc(c(c1)OCCNCCO)Cl
InChi [?]:
InChI=1/C10H14ClNO2/c11-9-3-1-2-4-10(9)14-8-6-12-5-7-13/h1-4,12-13H,5-8H2
InChi Info:
AuxInfo=1/0/N:2,1,3,6,11,9,12,8,4,5,14,10,13,7/rA:14nCCCCCCOCCNCCOCl/rB:s1;d2;s3;d4;d1s5;s5;s7;s8;s9;s10;s11;s12;s4;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H14ClNO2 |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.24388 |
Area: | 408.412 |
Solvation: | -3.96642 |
Coulombic: | -33.5644 |
Bond Count [?]
All: | 14 |
Single: | 11 |
Double: | 3 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 215.676 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 3 |
XLogP: | 1.46 |
LogP (Chemaxon): | 1.49 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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