Molecule

ID:128663

General Information
Structure
MolImage
Molecular Formula
C₂₀H₂₅NO
Molecular Mass
295.4186
Exact Mass
295.19361443
Charge
0
InChI
InChI=1S/C20H25NO/c1-4-19(22)20(15-16-21(2)3,17-11-7-5-8-12-17)18-13-9-6-10-14-18/h5-14H,4,15-16H2,1-3H3
InChIKey
WCJFBSYALHQBSK-UHFFFAOYSA-N
Canonic Smiles
CCC(=O)C(c1ccccc1)(c1ccccc1)CCN(C)C
Isomeric Smiles
O=C(C(c1ccccc1)(c1ccccc1)CCN(C)C)CC
Calculated Properties
JChem
Acid pKa
18.795527
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.4835465
LogD (pH = 7.4)
3.147492
Log P
4.5905967
Molar Refractivity
92.8501
Polarizability
36.322643
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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