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Chemical ID: 5034139
Chemical ID:
5034139
Name [?]:
2-[2-hydroxyethyl-(3-phenoxyphenyl)-amino]ethanol
SMILES [?]:
c1ccc(cc1)Oc2cccc(c2)N(CCO)CCO
InChi [?]:
InChI=1/C16H19NO3/c18-11-9-17(10-12-19)14-5-4-8-16(13-14)20-15-6-2-1-3-7-15/h1-8,13,18-19H,9-12H2
InChi Info:
AuxInfo=1/0/N:1,2,6,10,11,3,5,9,15,18,16,19,13,12,4,8,14,17,20,7/E:(2,3)(6,7)(9,10)(11,12)(18,19)/rA:20nCCCCCCOCCCCCCNCCOCCO/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s10;d11;d8s12;s12;s14;s15;s16;s14;s18;s19;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H19NO3 |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.14985 |
Area: | 468.208 |
Solvation: | -4.55535 |
Coulombic: | -48.3218 |
Bond Count [?]
All: | 21 |
Single: | 15 |
Double: | 6 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 273.327 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 2.29 |
LogP (Chemaxon): | 2.85 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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