Molecule

ID:75387

General Information
Structure
MolImage
Molecular Formula
C₉H₉NO
Molecular Mass
147.17386
Exact Mass
147.06841391
Charge
0
InChI
InChI=1S/C9H9NO/c1-7-3-4-8(6-10)5-9(7)11-2/h3-5H,1-2H3
InChIKey
QLJZMAGXHHXXMS-UHFFFAOYSA-N
Canonic Smiles
COc1cc(C#N)ccc1C
Isomeric Smiles
O(c1c(ccc(c1)C#N)C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.1850922
LogD (pH = 7.4)
2.1850922
Log P
2.1850922
Molar Refractivity
43.284
Polarizability
16.439922
Polar Surface Area
33.02
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