Molecule

ID:129449

General Information
Structure
MolImage
Molecular Formula
C₁₉H₁₉N
Molecular Mass
261.36086
Exact Mass
261.15174961
Charge
0
InChI
InChI=1S/C19H19N/c1-20-11-10-18-16-8-4-2-6-14(16)12-15-7-3-5-9-17(15)19(18)13-20/h2-9H,10-13H2,1H3
InChIKey
GVPIXRLYKVFFMK-UHFFFAOYSA-N
Canonic Smiles
CN1CCC2=C(C1)c1ccccc1Cc1c2cccc1
Isomeric Smiles
c12c(C3=C(c4ccccc4C1)CN(C)CC3)cccc2
Calculated Properties
JChem
LogD (pH = 7.4)
3.66
LogD (pH = 5.5)
2.05
Log P
3.98
Rotatable Bonds
0
H Donor
0
H Acceptors
1
Lipinski's Rule of Five
true
Acid pKa
7.44
Polar Surface Area
3.24
Polarizability
30.89
Molar Refractivity
85.53
LOG S
-3.71
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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