Molecule

ID:38461

General Information
Structure
MolImage
Molecular Formula
C₁₆H₃₁NO₄
Molecular Mass
301.42164
Exact Mass
301.22530848
Charge
0
InChI
InChI=1S/C16H31NO4/c1-16(2,3)21-15(20)17-13-11-9-7-5-4-6-8-10-12-14(18)19/h4-13H2,1-3H3,(H,17,20)(H,18,19)
InChIKey
HPTPZJBSQUULAV-UHFFFAOYSA-N
Canonic Smiles
OC(=O)CCCCCCCCCCNC(=O)OC(C)(C)C
Isomeric Smiles
C(CCCCCC(=O)O)CCCCNC(=O)OC(C)(C)C
Calculated Properties
JChem
Acid pKa
4.9520197
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
3.3264709
LogD (pH = 7.4)
1.5673358
Log P
3.9822764
Molar Refractivity
82.5378
Polarizability
32.628742
Polar Surface Area
75.63
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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