Molecule

ID:11063

General Information
Structure
Molecular Formula
C₁₆H₂₃NO₃
Molecular Mass
277.35872
Exact Mass
277.1677936
Charge
0
InChI
InChI=1S/C16H23NO3/c18-14(19)13-2-1-3-17(13)15(20)16-7-10-4-11(8-16)6-12(5-10)9-16/h10-13H,1-9H2,(H,18,19)
InChIKey
RQEOMJWWVKNKPX-UHFFFAOYSA-N
Canonic Smiles
OC(=O)C1CCCN1C(=O)C12CC3CC(C2)CC(C1)C3
Isomeric Smiles
N1(C(=O)C23CC4CC(C2)CC(C3)C4)CCCC1C(=O)O
Calculated Properties
JChem
Acid pKa
4.0940847
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.69613445
LogD (pH = 7.4)
-0.98697656
Log P
2.115923
Molar Refractivity
73.3748
Polarizability
29.03296
Polar Surface Area
57.61
Rotatable Bonds
2
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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