Molecule

ID:127038

General Information
Structure
MolImage
Molecular Formula
C₅H₇N
Molecular Mass
81.11578
Exact Mass
81.05784923
Charge
0
InChI
InChI=1S/C5H7N/c1-2-4-6-5-3-1/h2-6H,1H2
InChIKey
YNGDWRXWKFWCJY-UHFFFAOYSA-N
Canonic Smiles
C1C=CNC=C1
Isomeric Smiles
C1C=CNC=C1
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-2.5570624
LogD (pH = 7.4)
-2.3444138
Log P
0.6814458
Molar Refractivity
27.0216
Polarizability
9.878161
Polar Surface Area
12.03
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
Click here to submit data
Related Proteins
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
References
Bioactivity
Navigation