Molecule
ID:119173
General Information
Molecular Formula
C₁₄H₂₀N₂O₂
Molecular Mass
248.3208
Exact Mass
248.15247789
Charge
0
InChI
InChI=1S/C14H20N2O2/c1-18-14(17)7-10-16-9-3-2-6-13(16)12-5-4-8-15-11-12/h4-5,8,11,13H,2-3,6-7,9-10H2,1H3/t13-/m0/s1
InChIKey
LILGHMLCASYUAH-ZDUSSCGKSA-N
Canonic Smiles
COC(=O)CCN1CCCC[C@H]1c1cccnc1
Isomeric Smiles
N1([C@H](c2cnccc2)CCCC1)CCC(=O)OC
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
-1.3464975
LogD (pH = 7.4)
0.41563877
Log P
1.4679935
Molar Refractivity
69.8091
Polarizability
27.560362
Polar Surface Area
42.43
Rotatable Bonds
5
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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