Molecule

ID:10852

General Information
Structure
MolImage
Molecular Formula
C₁₆H₂₂N₂O₄
Molecular Mass
306.35688
Exact Mass
306.15795719
Charge
0
InChI
InChI=1S/C16H22N2O4/c1-22-14-6-3-2-5-13(14)17-9-11-18(12-10-17)15(19)7-4-8-16(20)21/h2-3,5-6H,4,7-12H2,1H3,(H,20,21)
InChIKey
WTVOCFSOTYTTCG-UHFFFAOYSA-N
Canonic Smiles
COc1ccccc1N1CCN(CC1)C(=O)CCCC(=O)O
Isomeric Smiles
N1(C(=O)CCCC(=O)O)CCN(c2ccccc2OC)CC1
Calculated Properties
JChem
Acid pKa
4.366625
H Acceptors
5
H Donor
1
LogD (pH = 5.5)
0.095715314
LogD (pH = 7.4)
-1.6531781
Log P
1.2670637
Molar Refractivity
82.7654
Polarizability
31.589952
Polar Surface Area
70.08
Rotatable Bonds
6
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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