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Chemical ID: 4682356
Chemical ID:
4682356
Name [?]:
1-benzyl-3-hexyl-pyrrolidine
SMILES [?]:
CCCCCCC1CCN(C1)Cc2ccccc2
InChi [?]:
InChI=1/C17H27N/c1-2-3-4-6-11-17-12-13-18(15-17)14-16-9-7-5-8-10-16/h5,7-10,17H,2-4,6,11-15H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,3,4,16,5,15,17,14,18,6,8,9,12,11,13,7,10/E:(7,8)(9,10)/rA:18cCCCCCCCCCNCCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;s9;s7s10;s10;s12;s13;d14;s15;d16;d13s17;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H27N |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 11.0304 |
Area: | 488.594 |
Solvation: | -1.18447 |
Coulombic: | -8.63909 |
Bond Count [?]
All: | 19 |
Single: | 16 |
Double: | 3 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 245.403 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 5.42 |
LogP (Chemaxon): | 4.64 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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