Molecule

ID:70778

General Information
Structure
MolImage
Molecular Formula
C₆H₇NO
Molecular Mass
109.12588
Exact Mass
109.05276385
Charge
0
InChI
InChI=1S/C6H7NO/c1-7-4-2-3-6(7)5-8/h2-5H,1H3
InChIKey
OUKQTRFCDKSEPL-UHFFFAOYSA-N
Canonic Smiles
O=Cc1cccn1C
Isomeric Smiles
n1(c(ccc1)C=O)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
0.90930945
LogD (pH = 7.4)
0.90930945
Log P
0.90930945
Molar Refractivity
32.175
Polarizability
11.693838
Polar Surface Area
22.0
Rotatable Bonds
1
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