Molecule

ID:89772

General Information
Structure
Loading...
Molecular Formula
C₇H₉N
Molecular Mass
107.15306
Exact Mass
107.07349929
Charge
0
InChI
InChI=1S/C7H9N/c1-6-3-2-4-7(8)5-6/h2-5H,8H2,1H3
InChIKey
JJYPMNFTHPTTDI-UHFFFAOYSA-N
Canonic Smiles
Cc1cccc(c1)N
Isomeric Smiles
Nc1cc(ccc1)C
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
1.5685256
LogD (pH = 7.4)
1.6564946
Log P
1.6577413
Molar Refractivity
35.7996
Polarizability
13.263287
Polar Surface Area
26.02
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Loading...
Names and Identifiers
Loading...
Registration numbers
Loading...
Properties
Loading...
Related Proteins
No Data Available
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
Loading...
References
Loading...
Bioactivity
Loading...