Molecule

ID:128553

General Information
Structure
MolImage
Molecular Formula
C₁₉H₂₃NO
Molecular Mass
281.39202
Exact Mass
281.17796436
Charge
0
InChI
InChI=1S/C19H23NO/c1-2-7-18(20-12-5-6-13-20)19(21)17-11-10-15-8-3-4-9-16(15)14-17/h3-4,8-11,14,18H,2,5-7,12-13H2,1H3
InChIKey
DTNUPBSOODGRKW-UHFFFAOYSA-N
Canonic Smiles
CCCC(C(=O)c1ccc2c(c1)cccc2)N1CCCC1
Isomeric Smiles
C1CCCN1C(CCC)C(=O)c1cc2ccccc2cc1
Calculated Properties
JChem
Acid pKa
17.830462
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.9035695
LogD (pH = 7.4)
3.6656508
Log P
4.3535213
Molar Refractivity
87.4999
Polarizability
35.368195
Polar Surface Area
20.31
Rotatable Bonds
5
Lipinski's Rule of Five
true
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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