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Chemical ID: 4414092
Chemical ID:
4414092
Name [?]:
2-[2-(2-allylphenoxy)ethylamino]ethanol
SMILES [?]:
C=CCc1ccccc1OCCNCCO
InChi [?]:
InChI=1/C13H19NO2/c1-2-5-12-6-3-4-7-13(12)16-11-9-14-8-10-15/h2-4,6-7,14-15H,1,5,8-11H2
InChi Info:
AuxInfo=1/0/N:1,2,6,7,3,5,8,14,12,15,11,4,9,13,16,10/rA:16nCCCCCCCCCOCCNCCO/rB:d1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;s11;s12;s13;s14;s15;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H19NO2 |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.14675 |
Area: | 441.432 |
Solvation: | -3.88905 |
Coulombic: | -34.9156 |
Bond Count [?]
All: | 16 |
Single: | 12 |
Double: | 4 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 221.296 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 3 |
XLogP: | 1.92 |
LogP (Chemaxon): | 2.01 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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