Molecule

ID:67807

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₀N₂O₂
Molecular Mass
248.3208
Exact Mass
248.15247789
Charge
0
InChI
InChI=1S/C14H20N2O2/c1-14(2,3)18-13(17)16-7-6-10-4-5-12(15)8-11(10)9-16/h4-5,8H,6-7,9,15H2,1-3H3
InChIKey
AGRBXKCSGCUXST-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc2c(c1)CN(CC2)C(=O)OC(C)(C)C
Isomeric Smiles
C1N(CCc2ccc(cc12)N)C(=O)OC(C)(C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.0056784
LogD (pH = 7.4)
2.0254917
Log P
2.0257502
Molar Refractivity
72.3111
Polarizability
27.366014
Polar Surface Area
55.56
Rotatable Bonds
2
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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