Molecule
ID:79677
General Information
Molecular Formula
C₆H₉N
Molecular Mass
95.14236
Exact Mass
95.07349929
Charge
0
InChI
InChI=1S/C6H9N/c1-6(2)4-3-5-7/h4H,3H2,1-2H3
InChIKey
AYDNYRHVOPYCDZ-UHFFFAOYSA-N
Canonic Smiles
N#CCC=C(C)C
Isomeric Smiles
N#CCC=C(C)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.3057159
LogD (pH = 7.4)
1.3057159
Log P
1.3057159
Molar Refractivity
30.8505
Polarizability
11.389248
Polar Surface Area
23.79
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Loading...
Names and Identifiers
Loading...
Registration numbers
Loading...
Properties
No Data Available
Click here to submit data
Related Proteins
No Data Available
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
暂无数据
点击上传数据
References
Loading...
Bioactivity
Loading...