Molecule

ID:77815

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₀N₂O₂
Molecular Mass
248.3208
Exact Mass
248.15247789
Charge
0
InChI
InChI=1S/C14H20N2O2/c1-2-13-10-15-8-9-16(13)14(17)18-11-12-6-4-3-5-7-12/h3-7,13,15H,2,8-11H2,1H3
InChIKey
VIUQBJBRYSNMKS-UHFFFAOYSA-N
Canonic Smiles
CCC1CNCCN1C(=O)OCc1ccccc1
Isomeric Smiles
N1(CCNCC1CC)C(=O)OCc1ccccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.21358904
LogD (pH = 7.4)
1.5151416
Log P
2.1639972
Molar Refractivity
70.1937
Polarizability
27.752748
Polar Surface Area
41.57
Rotatable Bonds
4
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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