Molecule

ID:128880

General Information
Structure
MolImage
Molecular Formula
C₁₉H₂₂N₂
Molecular Mass
278.39138
Exact Mass
278.17829871
Charge
0
InChI
InChI=1S/C19H22N2/c1-3-14-12-21-10-8-15(14)13(2)19-17(9-11-21)16-6-4-5-7-18(16)20-19/h3-7,15,20H,2,8-12H2,1H3/t15-/m0/s1
InChIKey
VAUGOKMDSLQYNG-HNNXBMFYSA-N
Canonic Smiles
C/C=C/1\CN2CC[C@H]1C(=C)c1[nH]c3c(c1CC2)cccc3
Isomeric Smiles
C/C=C/1\CN2CC[C@H]1C(=C)c1c(CC2)c2ccccc2[nH]1
Calculated Properties
JChem
Acid pKa
16.012266
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
0.9993996
LogD (pH = 7.4)
2.7691298
Log P
3.5246012
Molar Refractivity
89.82
Polarizability
35.51718
Polar Surface Area
19.03
Rotatable Bonds
0
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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