Molecule

ID:818

General Information
Structure
MolImage
Molecular Formula
C₁₉H₂₉NO
Molecular Mass
287.43966
Exact Mass
287.22491455
Charge
0
InChI
InChI=1S/C19H29NO/c21-19(18-11-5-6-12-18,17-9-3-1-4-10-17)13-16-20-14-7-2-8-15-20/h1,3-4,9-10,18,21H,2,5-8,11-16H2
InChIKey
SWRUZBWLEWHWRI-UHFFFAOYSA-N
Canonic Smiles
OC(c1ccccc1)(C1CCCC1)CCN1CCCCC1
Isomeric Smiles
OC(C1CCCC1)(CCN1CCCCC1)c1ccccc1
Calculated Properties
JChem
LogD (pH = 7.4)
1.73
LogD (pH = 5.5)
0.41
Log P
3.79
Rotatable Bonds
5
H Donor
1
H Acceptors
2
Lipinski's Rule of Five
true
Acid pKa
9.47
Polar Surface Area
23.47
Polarizability
34.93
Molar Refractivity
88.60
LOG S
-3.60
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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