Molecule

ID:129095

General Information
Structure
MolImage
Molecular Formula
C₁₉H₂₇NO₃
Molecular Mass
317.42258
Exact Mass
317.19909373
Charge
0
InChI
InChI=1S/C19H27NO3/c21-18(23-16-13-20-11-14-22-15-12-20)19(9-5-2-6-10-19)17-7-3-1-4-8-17/h1,3-4,7-8H,2,5-6,9-16H2
InChIKey
RQHKZUBCUZVZEF-UHFFFAOYSA-N
Canonic Smiles
O=C(C1(CCCCC1)c1ccccc1)OCCN1CCOCC1
Isomeric Smiles
c1ccccc1C1(CCCCC1)C(=O)OCCN1CCOCC1
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.8968062
LogD (pH = 7.4)
3.5085382
Log P
3.526013
Molar Refractivity
90.3046
Polarizability
35.790855
Polar Surface Area
38.77
Rotatable Bonds
6
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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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