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Chemical ID: 7273738
Chemical ID:
7273738
Name [?]:
1-(4-ethoxyphenoxy)-3-prop-2-ynylamino-propan-2-ol
SMILES [?]:
CCOc1ccc(cc1)OCC(CNCC#C)O
InChi [?]:
InChI=1/C14H19NO3/c1-3-9-15-10-12(16)11-18-14-7-5-13(6-8-14)17-4-2/h1,5-8,12,15-16H,4,9-11H2,2H3
InChi Info:
AuxInfo=1/0/N:17,1,16,2,5,9,6,8,15,13,11,12,4,7,14,18,3,10/E:(5,6)(7,8)/rA:18cCCOCCCCCCOCCCNCCCO/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;s10;s11;s12;s13;s14;s15;t16;s12;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H19NO3 |
All Atoms: | 37 |
Heavy Atoms: | 18 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 6.10886 |
Area: | 488.0 |
Solvation: | -6.09114 |
Coulombic: | -41.0934 |
Bond Count [?]
All: | 18 |
Single: | 14 |
Double: | 3 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 249.306 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 1.48 |
LogP (Chemaxon): | 1.4 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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