Molecule

ID:43953

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₀N₂O
Molecular Mass
186.2099
Exact Mass
186.07931295
Charge
0
InChI
InChI=1S/C11H10N2O/c12-8-9-6-7-13(11(9)14)10-4-2-1-3-5-10/h1-5,9H,6-7H2
InChIKey
FOIBIWQFUUPGIP-UHFFFAOYSA-N
Canonic Smiles
N#CC1CCN(C1=O)c1ccccc1
Isomeric Smiles
c1ccccc1N1C(=O)C(CC1)C#N
Calculated Properties
JChem
Acid pKa
8.830857
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.0944526
LogD (pH = 7.4)
1.0790286
Log P
1.094653
Molar Refractivity
52.2032
Polarizability
19.844763
Polar Surface Area
44.1
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