Molecule

ID:63644

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₂N₂O₂
Molecular Mass
250.33668
Exact Mass
250.16812795
Charge
0
InChI
InChI=1S/C14H22N2O2/c1-5-11(10-15)12-6-8-16(9-7-12)13(17)18-14(2,3)4/h5-9H2,1-4H3
InChIKey
VOLVRCOPABEBIC-UHFFFAOYSA-N
Canonic Smiles
CCC(=C1CCN(CC1)C(=O)OC(C)(C)C)C#N
Isomeric Smiles
C1CC(=C(C#N)CC)CCN1C(=O)OC(C)(C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.370927
LogD (pH = 7.4)
2.370927
Log P
2.370927
Molar Refractivity
71.4096
Polarizability
27.29216
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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