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Chemical ID: 7332618
Chemical ID:
7332618
Name [?]:
1-[3-(2,5-dichlorophenoxy)propyl]-4-methyl-piperidine
SMILES [?]:
CC1CCN(CC1)CCCOc2cc(ccc2Cl)Cl
InChi [?]:
InChI=1/C15H21Cl2NO/c1-12-5-8-18(9-6-12)7-2-10-19-15-11-13(16)3-4-14(15)17/h3-4,11-12H,2,5-10H2,1H3
InChi Info:
AuxInfo=1/0/N:1,9,15,16,3,7,8,4,6,10,13,2,14,17,12,19,18,5,11/E:(5,6)(8,9)/rA:19nCCCCNCCCCCOCCCCCCClCl/rB:s1;s2;s3;s4;s5;s2s6;s5;s8;s9;s10;s11;s12;d13;s14;d15;d12s16;s17;s14;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H21Cl2NO |
All Atoms: | 40 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.4318 |
Area: | 514.901 |
Solvation: | -2.44071 |
Coulombic: | -14.3416 |
Bond Count [?]
All: | 20 |
Single: | 17 |
Double: | 3 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 302.239 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 4.76 |
LogP (Chemaxon): | 3.91 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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