Molecule

ID:91108

General Information
Structure
MolImage
Molecular Formula
C₁₈H₂₀N₂O
Molecular Mass
280.3642
Exact Mass
280.15756327
Charge
0
InChI
InChI=1S/C18H20N2O/c1-20(2)12-15-11-19-18-9-8-16(10-17(15)18)21-13-14-6-4-3-5-7-14/h3-11,19H,12-13H2,1-2H3
InChIKey
POTVAILTNPOQJH-UHFFFAOYSA-N
Canonic Smiles
CN(Cc1c[nH]c2c1cc(OCc1ccccc1)cc2)C
Isomeric Smiles
[nH]1cc(c2c1ccc(c2)OCc1ccccc1)CN(C)C
Calculated Properties
JChem
Acid pKa
16.285355
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.27759966
LogD (pH = 7.4)
1.7458541
Log P
3.5802064
Molar Refractivity
86.763
Polarizability
34.790108
Polar Surface Area
28.26
Rotatable Bonds
5
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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