Molecule

ID:68880

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₆N₂
Molecular Mass
200.27954
Exact Mass
200.13134852
Charge
0
InChI
InChI=1S/C13H16N2/c14-10-12-6-8-15(9-7-12)11-13-4-2-1-3-5-13/h1-5,12H,6-9,11H2
InChIKey
CKJUFUGVCGDYHH-UHFFFAOYSA-N
Canonic Smiles
N#CC1CCN(CC1)Cc1ccccc1
Isomeric Smiles
N1(CCC(CC1)C#N)Cc1ccccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
-0.6666465
LogD (pH = 7.4)
1.105426
Log P
2.045702
Molar Refractivity
61.9619
Polarizability
23.88031
Polar Surface Area
27.03
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