Molecule

ID:14815

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₈N₂O
Molecular Mass
254.32692
Exact Mass
254.14191321
Charge
0
InChI
InChI=1S/C16H18N2O/c1-17-10-12(19)11-18-15-8-4-2-6-13(15)14-7-3-5-9-16(14)18/h2-9,12,17,19H,10-11H2,1H3
InChIKey
JQBQWSNLDFTYOA-UHFFFAOYSA-N
Canonic Smiles
CNCC(Cn1c2ccccc2c2c1cccc2)O
Isomeric Smiles
n1(c2c(c3c1cccc3)cccc2)CC(CNC)O
Calculated Properties
JChem
Acid pKa
14.433886
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-0.8829531
LogD (pH = 7.4)
0.006220239
Log P
2.3198235
Molar Refractivity
77.0558
Polarizability
32.62163
Polar Surface Area
37.19
Rotatable Bonds
4
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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