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Chemical ID: 4313092
Chemical ID:
4313092
Name [?]:
1-[2-(2,4,6-trichlorophenoxy)ethyl]pyrrolidine
SMILES [?]:
c1c(cc(c(c1Cl)OCCN2CCCC2)Cl)Cl
InChi [?]:
InChI=1/C12H14Cl3NO/c13-9-7-10(14)12(11(15)8-9)17-6-5-16-3-1-2-4-16/h7-8H,1-6H2
InChi Info:
AuxInfo=1/0/N:13,14,12,15,10,9,1,3,2,6,4,5,17,7,16,11,8/E:(1,2)(3,4)(7,8)(10,11)(14,15)/rA:17nCCCCCCClOCCNCCCCClCl/rB:s1;d2;s3;d4;d1s5;s6;s5;s8;s9;s10;s11;s12;s13;s11s14;s4;s2;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H14Cl3NO |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.71032 |
Area: | 456.718 |
Solvation: | -2.70764 |
Coulombic: | -13.3808 |
Bond Count [?]
All: | 18 |
Single: | 15 |
Double: | 3 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 294.604 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 4.16 |
LogP (Chemaxon): | 3.65 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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