Molecule

ID:130682

General Information
Structure
MolImage
Molecular Formula
C₁₉H₂₁NO
Molecular Mass
279.37614
Exact Mass
279.1623143
Charge
0
InChI
InChI=1S/C19H21NO/c1-20-12-6-11-16-15-8-3-2-7-14(15)13-19(21)18-10-5-4-9-17(16)18/h2-5,7-11,19-21H,6,12-13H2,1H3/b16-11+
InChIKey
VAGXZGJKNUNLHK-LFIBNONCSA-N
Canonic Smiles
CNCC/C=C/1\c2ccccc2CC(c2c1cccc2)O
Isomeric Smiles
CNCC/C=C/1\c2ccccc2CC(c2c1cccc2)O
Calculated Properties
JChem
Acid pKa
14.257345
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-0.038330104
LogD (pH = 7.4)
0.34782842
Log P
3.1956758
Molar Refractivity
97.728
Polarizability
34.036633
Polar Surface Area
32.26
Rotatable Bonds
3
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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