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Chemical ID: 5006572
Chemical ID:
5006572
Name [?]:
ethyl 2-cyclohexyl-3-nitrido-propanoate
SMILES [?]:
CCOC(=O)C(C#N)C1CCCCC1
InChi [?]:
InChI=1/C11H17NO2/c1-2-14-11(13)10(8-12)9-6-4-3-5-7-9/h9-10H,2-7H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,12,11,13,10,14,7,9,6,4,8,5,3/E:(4,5)(6,7)/rA:14cCCOCOCCNCCCCCC/rB:s1;s2;s3;d4;s4;s6;t7;s6;s9;s10;s11;s12;s9s13;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H17NO2 |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 7.70255 |
Area: | 384.481 |
Solvation: | -1.90947 |
Coulombic: | -21.968 |
Bond Count [?]
All: | 14 |
Single: | 12 |
Double: | 1 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 195.258 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 3.21 |
LogP (Chemaxon): | 2.38 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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