Molecule

ID:134083

General Information
Structure
MolImage
Molecular Formula
C₁₆H₂₉NO₅
Molecular Mass
315.40516
Exact Mass
315.20457303
Charge
0
InChI
InChI=1S/C16H29NO5/c1-16(2,3)22-15(21)17-12(13(18)10-14(19)20)9-11-7-5-4-6-8-11/h11-13,18H,4-10H2,1-3H3,(H,17,21)(H,19,20)
InChIKey
IJMMECIIPUTJIH-UHFFFAOYSA-N
Canonic Smiles
OC(C(NC(=O)OC(C)(C)C)CC1CCCCC1)CC(=O)O
Isomeric Smiles
CC(C)(C)OC(=O)NC(CC1CCCCC1)C(CC(=O)O)O
Calculated Properties
JChem
Acid pKa
4.613261
H Acceptors
4
H Donor
3
LogD (pH = 5.5)
1.5532137
LogD (pH = 7.4)
-0.22329542
Log P
2.4919648
Molar Refractivity
81.6315
Polarizability
32.564102
Polar Surface Area
95.86
Rotatable Bonds
8
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
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References
Bioactivity
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