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Chemical ID: 4179869
Chemical ID:
4179869
Name [?]:
1-[2-(2,4-dichlorophenoxy)ethyl]pyrrolidine
SMILES [?]:
c1cc(c(cc1Cl)Cl)OCCN2CCCC2
InChi [?]:
InChI=1/C12H15Cl2NO/c13-10-3-4-12(11(14)9-10)16-8-7-15-5-1-2-6-15/h3-4,9H,1-2,5-8H2
InChi Info:
AuxInfo=1/0/N:14,15,1,2,13,16,11,10,5,6,4,3,7,8,12,9/E:(1,2)(5,6)/rA:16nCCCCCCClClOCCNCCCC/rB:s1;d2;s3;d4;d1s5;s6;s4;s3;s9;s10;s11;s12;s13;s14;s12s15;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H15Cl2NO |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.09955 |
Area: | 445.096 |
Solvation: | -3.02785 |
Coulombic: | -12.957 |
Bond Count [?]
All: | 17 |
Single: | 14 |
Double: | 3 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 260.159 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 3.54 |
LogP (Chemaxon): | 3.13 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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