Molecule

ID:52214

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₀N₂
Molecular Mass
158.1998
Exact Mass
158.08439833
Charge
0
InChI
InChI=1S/C10H10N2/c1-9-3-2-4-10(7-9)12-6-5-11-8-12/h2-8H,1H3
InChIKey
CONMFQGRYDVJRS-UHFFFAOYSA-N
Canonic Smiles
Cc1cccc(c1)n1cncc1
Isomeric Smiles
c1nccn1c1cc(ccc1)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.0870876
LogD (pH = 7.4)
1.6901293
Log P
1.7281
Molar Refractivity
59.0476
Polarizability
19.221891
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