Molecule

ID:88419

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₂N₂O₂
Molecular Mass
250.33668
Exact Mass
250.16812795
Charge
0
InChI
InChI=1S/C14H22N2O2/c1-11(2)16(13(17)18-14(3,4)5)15-12-9-7-6-8-10-12/h6-11,15H,1-5H3
InChIKey
VDAJIHNXBJETLE-UHFFFAOYSA-N
Canonic Smiles
CC(N(C(=O)OC(C)(C)C)Nc1ccccc1)C
Isomeric Smiles
N(c1ccccc1)N(C(=O)OC(C)(C)C)C(C)C
Calculated Properties
JChem
Acid pKa
16.752941
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
3.7422247
LogD (pH = 7.4)
3.7422247
Log P
3.7422247
Molar Refractivity
73.6398
Polarizability
28.095238
Polar Surface Area
41.57
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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