Molecule

ID:48476

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₆N₂O₂
Molecular Mass
256.29974
Exact Mass
256.12117776
Charge
0
InChI
InChI=1S/C15H16N2O2/c1-2-17(11-12-6-4-3-5-7-12)14-10-13(15(18)19)8-9-16-14/h3-10H,2,11H2,1H3,(H,18,19)
InChIKey
UOOPOSVSCZKLHE-UHFFFAOYSA-N
Canonic Smiles
CCN(c1nccc(c1)C(=O)O)Cc1ccccc1
Isomeric Smiles
c1(N(Cc2ccccc2)CC)cc(C(=O)O)ccn1
Calculated Properties
JChem
Acid pKa
0.8932786
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
1.5003465
LogD (pH = 7.4)
1.0847055
Log P
1.5094397
Molar Refractivity
75.2606
Polarizability
28.009094
Polar Surface Area
53.43
Rotatable Bonds
5
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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