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Chemical ID: 5610273
Chemical ID:
5610273
Name [?]:
1-[2-(4-chlorophenoxy)ethoxy]-3-morpholino-propan-2-ol
SMILES [?]:
c1cc(ccc1OCCOCC(CN2CCOCC2)O)Cl
InChi [?]:
InChI=1/C15H22ClNO4/c16-13-1-3-15(4-2-13)21-10-9-20-12-14(18)11-17-5-7-19-8-6-17/h1-4,14,18H,5-12H2
InChi Info:
AuxInfo=1/0/N:2,4,1,5,15,19,16,18,9,8,13,11,3,12,6,21,14,20,17,10,7/E:(1,2)(3,4)(5,6)(7,8)/rA:21cCCCCCCOCCOCCCNCCOCCOCl/rB:s1;d2;s3;d4;d1s5;s6;s7;s8;s9;s10;s11;s12;s13;s14;s15;s16;s17;s14s18;s12;s3;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H22ClNO4 |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 5.8241 |
Area: | 544.908 |
Solvation: | -7.79861 |
Coulombic: | -44.0786 |
Bond Count [?]
All: | 22 |
Single: | 19 |
Double: | 3 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 315.792 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 1.15 |
LogP (Chemaxon): | 1.41 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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