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Chemical ID: 7292847
Chemical ID:
7292847
Name [?]:
1-(2,5-dichlorophenoxy)-3-(2-methyl-1-piperidyl)-propan-2-ol
SMILES [?]:
CC1CCCCN1CC(COc2cc(ccc2Cl)Cl)O
InChi [?]:
InChI=1/C15H21Cl2NO2/c1-11-4-2-3-7-18(11)9-13(19)10-20-15-8-12(16)5-6-14(15)17/h5-6,8,11,13,19H,2-4,7,9-10H2,1H3
InChi Info:
AuxInfo=1/0/N:1,4,5,3,15,16,6,13,8,10,2,14,9,17,12,19,18,7,20,11/rA:20cCCCCCCNCCCOCCCCCCClClO/rB:s1;s2;s3;s4;s5;s2s6;s7;s8;s9;s10;s11;s12;d13;s14;d15;d12s16;s17;s14;s9;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H21Cl2NO2 |
All Atoms: | 41 |
Heavy Atoms: | 20 |
Chiral Atoms: | 3 |
ZAP Information [?]
Total: | 8.39706 |
Area: | 520.0 |
Solvation: | -4.60295 |
Coulombic: | -29.6289 |
Bond Count [?]
All: | 21 |
Single: | 18 |
Double: | 3 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 318.238 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 3.69 |
LogP (Chemaxon): | 3.57 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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