Molecule

ID:77364

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)8-9-5-6-10-3-1-2-4-11(10)7-9/h1-7,12H,8,14H2,(H,15,16)/t12-/m1/s1
InChIKey
JPZXHKDZASGCLU-GFCCVEGCSA-N
Canonic Smiles
OC(=O)[C@@H](Cc1ccc2c(c1)cccc2)N
Isomeric Smiles
O=C(O)[C@H](N)Cc1cc2ccccc2cc1
Calculated Properties
JChem
Acid pKa
2.607654
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-0.19489686
LogD (pH = 7.4)
-0.19816035
Log P
-0.19468407
Molar Refractivity
61.5665
Polarizability
25.419708
Polar Surface Area
63.32
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
References
Bioactivity
Navigation