Molecule

ID:30296

General Information
Structure
Molecular Formula
C₂₀H₂₂N₂O
Molecular Mass
306.40148
Exact Mass
306.17321333
Charge
0
InChI
InChI=1S/C20H22N2O/c1-14-5-3-7-16(11-14)9-10-21-13-18-12-17-8-4-6-15(2)19(17)22-20(18)23/h3-8,11-12,21H,9-10,13H2,1-2H3,(H,22,23)
InChIKey
PAUKZWZGQWSTHC-UHFFFAOYSA-N
Canonic Smiles
Cc1cccc(c1)CCNCc1cc2cccc(c2[nH]c1=O)C
Isomeric Smiles
[nH]1c(=O)c(cc2c1c(ccc2)C)CNCCc1cc(ccc1)C
Calculated Properties
JChem
Acid pKa
13.701085
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
0.97421414
LogD (pH = 7.4)
2.3180943
Log P
4.077597
Molar Refractivity
97.2931
Polarizability
36.287636
Polar Surface Area
41.13
Rotatable Bonds
5
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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