Molecule

ID:120317

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₀N₂O₃
Molecular Mass
276.3309
Exact Mass
276.14739251
Charge
0
InChI
InChI=1S/C15H20N2O3/c1-20-14(18)13(11-12-7-3-2-4-8-12)16-15(19)17-9-5-6-10-17/h2-4,7-8,13H,5-6,9-11H2,1H3,(H,16,19)/t13-/m0/s1
InChIKey
OBSFQYXHSAQXDY-ZDUSSCGKSA-N
Canonic Smiles
COC(=O)[C@H](Cc1ccccc1)NC(=O)N1CCCC1
Isomeric Smiles
C(=O)(N[C@H](C(=O)OC)Cc1ccccc1)N1CCCC1
Calculated Properties
JChem
Acid pKa
14.823973
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.5619597
LogD (pH = 7.4)
1.5619597
Log P
1.5619597
Molar Refractivity
75.3403
Polarizability
29.294043
Polar Surface Area
58.64
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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