Molecule

ID:76853

General Information
Structure
MolImage
Molecular Formula
C₆H₇NO
Molecular Mass
109.12588
Exact Mass
109.05276385
Charge
0
InChI
InChI=1S/C6H7NO/c1-8-6-4-2-3-5-7-6/h2-5H,1H3
InChIKey
IWTFOFMTUOBLHG-UHFFFAOYSA-N
Canonic Smiles
COc1ccccn1
Isomeric Smiles
n1c(cccc1)OC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.1911516
LogD (pH = 7.4)
1.1923444
Log P
1.1923597
Molar Refractivity
30.6778
Polarizability
11.948264
Polar Surface Area
22.12
Rotatable Bonds
1
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...