Molecule

ID:105269

General Information
Structure
MolImage
Molecular Formula
C₁₈H₂₉NO₃
Molecular Mass
307.42776
Exact Mass
307.21474379
Charge
0
InChI
InChI=1S/C18H29NO3/c1-14(2)8-6-4-5-7-9-18(21)19-13-15-10-11-16(20)17(12-15)22-3/h10-12,14,20H,4-9,13H2,1-3H3,(H,19,21)
InChIKey
XJQPQKLURWNAAH-UHFFFAOYSA-N
Canonic Smiles
COc1cc(CNC(=O)CCCCCCC(C)C)ccc1O
Isomeric Smiles
COc1c(O)ccc(CNC(=O)CCCCCCC(C)C)c1
Calculated Properties
JChem
LogD (pH = 7.4)
4.11
LogD (pH = 5.5)
4.11
Log P
4.11
Rotatable Bonds
10
H Donor
2
H Acceptors
3
Lipinski's Rule of Five
true
Acid pKa
9.93
Polar Surface Area
58.56
Polarizability
36.65
Molar Refractivity
89.20
LOG S
-4.95
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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