Molecule

ID:14752

General Information
Structure
Molecular Formula
C₁₆H₂₇NO₂
Molecular Mass
265.39108
Exact Mass
265.20417911
Charge
0
InChI
InChI=1S/C16H27NO2/c1-13(2)19-12-4-11-17-14(3)5-6-15-7-9-16(18)10-8-15/h7-10,13-14,17-18H,4-6,11-12H2,1-3H3
InChIKey
FSARTJNMIHTUDY-UHFFFAOYSA-N
Canonic Smiles
CC(CCc1ccc(cc1)O)NCCCOC(C)C
Isomeric Smiles
c1(ccc(cc1)O)CCC(NCCCOC(C)C)C
Calculated Properties
JChem
Acid pKa
10.007169
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-0.0667236
LogD (pH = 7.4)
0.406581
Log P
2.494627
Molar Refractivity
80.138
Polarizability
31.501345
Polar Surface Area
41.49
Rotatable Bonds
9
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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