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Chemical ID: 7513362
Chemical ID:
7513362
Name [?]:
1-[3-(2,4,6-trichlorophenoxy)propyl]piperidine
SMILES [?]:
c1c(cc(c(c1Cl)OCCCN2CCCCC2)Cl)Cl
InChi [?]:
InChI=1/C14H18Cl3NO/c15-11-9-12(16)14(13(17)10-11)19-8-4-7-18-5-2-1-3-6-18/h9-10H,1-8H2
InChi Info:
AuxInfo=1/0/N:15,14,16,10,13,17,11,9,1,3,2,6,4,5,19,7,18,12,8/E:(2,3)(5,6)(9,10)(12,13)(16,17)/rA:19nCCCCCCClOCCCNCCCCCClCl/rB:s1;d2;s3;d4;d1s5;s6;s5;s8;s9;s10;s11;s12;s13;s14;s15;s12s16;s4;s2;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H18Cl3NO |
All Atoms: | 37 |
Heavy Atoms: | 19 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 10.6681 |
Area: | 518.299 |
Solvation: | -2.28933 |
Coulombic: | -14.338 |
Bond Count [?]
All: | 20 |
Single: | 17 |
Double: | 3 |
Rotors: | 5 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 4.88 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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