Molecule

ID:64677

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₅NO₂
Molecular Mass
253.2958
Exact Mass
253.11027873
Charge
0
InChI
InChI=1S/C16H15NO2/c18-16(19)14-8-4-7-13-10-17(11-15(13)14)9-12-5-2-1-3-6-12/h1-8H,9-11H2,(H,18,19)
InChIKey
FCHOYDWTQYAPDZ-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1cccc2c1CN(C2)Cc1ccccc1
Isomeric Smiles
c12c(C(=O)O)cccc1CN(C2)Cc1ccccc1
Calculated Properties
JChem
Acid pKa
3.0642614
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.32973176
LogD (pH = 7.4)
0.2395779
Log P
0.32780614
Molar Refractivity
75.0241
Polarizability
28.561508
Polar Surface Area
40.54
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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