Molecule
ID:55970
General Information
Molecular Formula
C₁₄H₂₀N₂O₂
Molecular Mass
248.3208
Exact Mass
248.15247789
Charge
0
InChI
InChI=1S/C14H20N2O2/c1-10-7-12(15)8-11(2)14(10)18-9-13(17)16-5-3-4-6-16/h7-8H,3-6,9,15H2,1-2H3
InChIKey
FPRFYNSOGLCVTA-UHFFFAOYSA-N
Canonic Smiles
O=C(N1CCCC1)COc1c(C)cc(cc1C)N
Isomeric Smiles
c1(c(cc(cc1C)N)C)OCC(=O)N1CCCC1
Calculated Properties
JChem
Acid pKa
16.585773
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.2753487
LogD (pH = 7.4)
1.5331488
Log P
1.5376817
Molar Refractivity
72.5452
Polarizability
27.204065
Polar Surface Area
55.56
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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