Molecule

ID:77363

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₃NO₂
Molecular Mass
215.24782
Exact Mass
215.09462866
Charge
0
InChI
InChI=1S/C13H13NO2/c14-12(13(15)16)8-10-6-3-5-9-4-1-2-7-11(9)10/h1-7,12H,8,14H2,(H,15,16)/t12-/m1/s1
InChIKey
OFYAYGJCPXRNBL-GFCCVEGCSA-N
Canonic Smiles
OC(=O)[C@@H](Cc1cccc2c1cccc2)N
Isomeric Smiles
O=C(O)[C@H](N)Cc1c2c(ccc1)cccc2
Calculated Properties
JChem
Acid pKa
2.6140146
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-0.19483837
LogD (pH = 7.4)
-0.19827187
Log P
-0.19462584
Molar Refractivity
61.5665
Polarizability
25.420156
Polar Surface Area
63.32
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
Molecule Details
References
Bioactivity
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