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Chemical ID: 5238674
Chemical ID:
5238674
Name [?]:
methyl 1-cyclohexyl-4-methyl-azetidine-2-carboxylate
SMILES [?]:
CC1CC(N1C2CCCCC2)C(=O)OC
InChi [?]:
InChI=1/C12H21NO2/c1-9-8-11(12(14)15-2)13(9)10-6-4-3-5-7-10/h9-11H,3-8H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,15,9,8,10,7,11,3,2,6,4,12,5,13,14/E:(4,5)(6,7)/rA:15cCCCCNCCCCCCCOOC/rB:s1;s2;s3;s2s4;s5;s6;s7;s8;s9;s6s10;s4;d12;s12;s14;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H21NO2 |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 3 |
ZAP Information [?]
Total: | 21.7767 |
Area: | 2.60183 |
Solvation: | 21.7117 |
Coulombic: | 0.0 |
Bond Count [?]
All: | 16 |
Single: | 15 |
Double: | 1 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 211.301 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 2.31 |
LogP (Chemaxon): | 1.8 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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