Molecule

ID:12208

General Information
Structure
MolImage
Molecular Formula
C₉H₁₄N₂
Molecular Mass
150.22086
Exact Mass
150.11569846
Charge
0
InChI
InChI=1S/C9H14N2/c1-11(2)9-5-3-4-8(6-9)7-10/h3-6H,7,10H2,1-2H3
InChIKey
SJIFOHPZHHKGLQ-UHFFFAOYSA-N
Canonic Smiles
NCc1cccc(c1)N(C)C
Isomeric Smiles
N(C)(C)c1cc(ccc1)CN
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.8235329
LogD (pH = 7.4)
-0.94493955
Log P
1.2070581
Molar Refractivity
48.96
Polarizability
18.54869
Polar Surface Area
29.26
Rotatable Bonds
2
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