Molecule

ID:52601

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₈N₂O₂
Molecular Mass
210.27282
Exact Mass
210.13682783
Charge
0
InChI
InChI=1S/C11H18N2O2/c1-11(2,3)15-10(14)13-8-4-5-9(13)6-7-12/h9H,4-6,8H2,1-3H3/t9-/m1/s1
InChIKey
GSNDDHMLFYORQI-SECBINFHSA-N
Canonic Smiles
N#CC[C@H]1CCCN1C(=O)OC(C)(C)C
Isomeric Smiles
[C@@H]1(CCCN1C(=O)OC(C)(C)C)CC#N
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.328824
LogD (pH = 7.4)
1.328824
Log P
1.328824
Molar Refractivity
56.663
Polarizability
22.028181
Polar Surface Area
53.33
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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