Molecule

ID:112353

General Information
Structure
MolImage
Molecular Formula
C₁₆H₃₁NO₄
Molecular Mass
301.42164
Exact Mass
301.22530848
Charge
0
InChI
InChI=1S/C16H31NO4/c1-2-3-4-5-6-7-8-9-10-11-12-17(15(20)13-18)16(21)14-19/h18-19H,2-14H2,1H3
InChIKey
NATJGXALFSVMEI-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCCCCCCN(C(=O)CO)C(=O)CO
Isomeric Smiles
CCCCCCCCCCCCN(C(=O)CO)C(=O)CO
Calculated Properties
JChem
Acid pKa
13.277651
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
2.4279482
LogD (pH = 7.4)
2.4279478
Log P
2.4279482
Molar Refractivity
83.0145
Polarizability
32.735233
Polar Surface Area
77.84
Rotatable Bonds
13
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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