Molecule

ID:16209

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₀N₂O₂
Molecular Mass
248.3208
Exact Mass
248.15247789
Charge
0
InChI
InChI=1S/C14H20N2O2/c1-10-7-8-11-6-5-9-16(12(11)15-10)13(17)18-14(2,3)4/h7-8H,5-6,9H2,1-4H3
InChIKey
CHWMFCCGEWQABK-UHFFFAOYSA-N
Canonic Smiles
O=C(N1CCCc2c1nc(C)cc2)OC(C)(C)C
Isomeric Smiles
C1CN(c2c(C1)ccc(n2)C)C(=O)OC(C)(C)C
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.740159
LogD (pH = 7.4)
2.7408764
Log P
2.7408855
Molar Refractivity
70.1248
Polarizability
27.087381
Polar Surface Area
42.43
Rotatable Bonds
2
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
References
Bioactivity
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