Molecule

ID:48251

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₀N₂O₃
Molecular Mass
264.3202
Exact Mass
264.14739251
Charge
0
InChI
InChI=1S/C14H20N2O3/c1-2-19-14(18)10-3-4-13(12(15)9-10)16-7-5-11(17)6-8-16/h3-4,9,11,17H,2,5-8,15H2,1H3
InChIKey
BDEOVLDXZQJDLY-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1ccc(c(c1)N)N1CCC(CC1)O
Isomeric Smiles
N1(c2c(cc(C(=O)OCC)cc2)N)CCC(CC1)O
Calculated Properties
JChem
Acid pKa
15.17786
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
0.92965055
LogD (pH = 7.4)
0.9306949
Log P
0.9307082
Molar Refractivity
75.6852
Polarizability
27.981073
Polar Surface Area
75.79
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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