Molecule

ID:115668

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₀N₂O₂
Molecular Mass
260.3315
Exact Mass
260.15247789
Charge
0
InChI
InChI=1S/C15H20N2O2/c1-15(2,3)19-14(18)16-9-11-17-10-8-12-6-4-5-7-13(12)17/h4-8,10H,9,11H2,1-3H3,(H,16,18)
InChIKey
LOKCUGLMNQWDQU-UHFFFAOYSA-N
Canonic Smiles
O=C(OC(C)(C)C)NCCn1ccc2c1cccc2
Isomeric Smiles
n1(ccc2c1cccc2)CCNC(=O)OC(C)(C)C
Calculated Properties
JChem
Acid pKa
15.281499
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.9907975
LogD (pH = 7.4)
2.9907975
Log P
2.9907975
Molar Refractivity
74.864
Polarizability
30.333338
Polar Surface Area
43.26
Rotatable Bonds
5
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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