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Chemical ID: 5086394
Chemical ID:
5086394
Name [?]:
1-(2,4-dichlorophenoxy)-3-(1-piperidyl)propan-2-ol
SMILES [?]:
c1cc(c(cc1Cl)Cl)OCC(CN2CCCCC2)O
InChi [?]:
InChI=1/C14H19Cl2NO2/c15-11-4-5-14(13(16)8-11)19-10-12(18)9-17-6-2-1-3-7-17/h4-5,8,12,18H,1-3,6-7,9-10H2
InChi Info:
AuxInfo=1/0/N:16,15,17,1,2,14,18,5,12,10,6,11,4,3,7,8,13,19,9/E:(2,3)(6,7)/rA:19cCCCCCCClClOCCCNCCCCCO/rB:s1;d2;s3;d4;d1s5;s6;s4;s3;s9;s10;s11;s12;s13;s14;s15;s16;s13s17;s11;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H19Cl2NO2 |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 7.93668 |
Area: | 506.466 |
Solvation: | -4.72497 |
Coulombic: | -29.3174 |
Bond Count [?]
All: | 20 |
Single: | 17 |
Double: | 3 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 304.212 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 3.23 |
LogP (Chemaxon): | 3.16 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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