Molecule

ID:127562

General Information
Structure
MolImage
Molecular Formula
C₂₀H₂₅NO
Molecular Mass
295.4186
Exact Mass
295.19361443
Charge
0
InChI
InChI=1S/C20H25NO/c22-20(18-9-5-2-6-10-18)19-12-15-21(16-13-19)14-11-17-7-3-1-4-8-17/h1-10,19-20,22H,11-16H2
InChIKey
AXNGJCOYCMDPQG-UHFFFAOYSA-N
Canonic Smiles
OC(c1ccccc1)C1CCN(CC1)CCc1ccccc1
Isomeric Smiles
OC(c1ccccc1)C1CCN(CCc2ccccc2)CC1
Calculated Properties
JChem
Acid pKa
14.222588
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.5001212
LogD (pH = 7.4)
2.0216358
Log P
3.7662044
Molar Refractivity
92.1808
Polarizability
36.053375
Polar Surface Area
23.47
Rotatable Bonds
5
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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