Molecule

ID:115697

General Information
Structure
Molecular Formula
C₁₅H₂₀N₂O₂
Molecular Mass
260.3315
Exact Mass
260.15247789
Charge
0
InChI
InChI=1S/C15H20N2O2/c1-10-7-12-8-11(5-6-13(12)17-10)9-16-14(18)19-15(2,3)4/h5-8,17H,9H2,1-4H3,(H,16,18)
InChIKey
DYSYDEWASOKWQU-UHFFFAOYSA-N
Canonic Smiles
O=C(OC(C)(C)C)NCc1ccc2c(c1)cc([nH]2)C
Isomeric Smiles
[nH]1c(cc2c1ccc(c2)CNC(=O)OC(C)(C)C)C
Calculated Properties
JChem
Acid pKa
14.905029
H Acceptors
1
H Donor
2
LogD (pH = 5.5)
2.889435
LogD (pH = 7.4)
2.889435
Log P
2.889435
Molar Refractivity
75.6406
Polarizability
30.248434
Polar Surface Area
54.12
Rotatable Bonds
4
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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