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Chemical ID: 5086401
Chemical ID:
5086401
Name [?]:
1-(2-chlorophenoxy)-3-(1-piperidyl)propan-2-ol
SMILES [?]:
c1ccc(c(c1)OCC(CN2CCCCC2)O)Cl
InChi [?]:
InChI=1/C14H20ClNO2/c15-13-6-2-3-7-14(13)18-11-12(17)10-16-8-4-1-5-9-16/h2-3,6-7,12,17H,1,4-5,8-11H2
InChi Info:
AuxInfo=1/0/N:14,2,1,13,15,3,6,12,16,10,8,9,4,5,18,11,17,7/E:(4,5)(8,9)/rA:18cCCCCCCOCCCNCCCCCOCl/rB:s1;d2;s3;d4;d1s5;s5;s7;s8;s9;s10;s11;s12;s13;s14;s11s15;s9;s4;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H20ClNO2 |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 7.1203 |
Area: | 470.355 |
Solvation: | -4.63858 |
Coulombic: | -29.7109 |
Bond Count [?]
All: | 19 |
Single: | 16 |
Double: | 3 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 269.767 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 2.6 |
LogP (Chemaxon): | 2.64 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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