Molecule

ID:107099

General Information
Structure
MolImage
Molecular Formula
C₁₆H₂₉NO₅
Molecular Mass
315.40516
Exact Mass
315.20457303
Charge
0
InChI
InChI=1S/C16H29NO5/c1-2-3-4-5-6-7-8-9-10-11-14(18)17(12-15(19)20)13-16(21)22/h2-13H2,1H3,(H,19,20)(H,21,22)
InChIKey
PCNAKWUTWPAVMZ-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCCCCCC(=O)N(CC(=O)O)CC(=O)O
Isomeric Smiles
CCCCCCCCCCCC(=O)N(CC(=O)O)CC(=O)O
Calculated Properties
JChem
Acid pKa
3.46309
H Acceptors
5
H Donor
2
LogD (pH = 5.5)
-0.30162877
LogD (pH = 7.4)
-3.4103165
Log P
3.0746841
Molar Refractivity
82.4644
Polarizability
32.494522
Polar Surface Area
94.91
Rotatable Bonds
14
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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