Molecule

ID:127905

General Information
Structure
MolImage
Molecular Formula
C₂₁H₂₇NO
Molecular Mass
309.44518
Exact Mass
309.20926449
Charge
0
InChI
InChI=1S/C21H27NO/c1-5-20(23)21(17(2)16-22(3)4,18-12-8-6-9-13-18)19-14-10-7-11-15-19/h6-15,17H,5,16H2,1-4H3
InChIKey
IFKPLJWIEQBPGG-UHFFFAOYSA-N
Canonic Smiles
CCC(=O)C(c1ccccc1)(c1ccccc1)C(CN(C)C)C
Isomeric Smiles
O=C(C(c1ccccc1)(c1ccccc1)C(CN(C)C)C)CC
Calculated Properties
JChem
Acid pKa
18.75176
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.7140745
LogD (pH = 7.4)
3.2656503
Log P
4.9555693
Molar Refractivity
97.3217
Polarizability
38.169483
Polar Surface Area
20.31
Rotatable Bonds
7
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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