Molecule

ID:72142

General Information
Structure
MolImage
Molecular Formula
C₆H₁₀N₂
Molecular Mass
110.157
Exact Mass
110.08439833
Charge
0
InChI
InChI=1S/C6H10N2/c1-3-6-4-5-8(2)7-6/h4-5H,3H2,1-2H3
InChIKey
ZAXITHHHFYZUGN-UHFFFAOYSA-N
Canonic Smiles
CCc1ccn(n1)C
Isomeric Smiles
n1(ccc(n1)CC)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.2320979
LogD (pH = 7.4)
1.2330004
Log P
1.2330118
Molar Refractivity
44.1798
Polarizability
12.496566
Polar Surface Area
17.82
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
暂无数据
点击上传数据
References
Bioactivity
Navigation