Molecule

ID:35928

General Information
Structure
MolImage
Molecular Formula
C₉H₉NO₂
Molecular Mass
163.17326
Exact Mass
163.06332853
Charge
0
InChI
InChI=1S/C9H9NO2/c1-12-9-4-2-8(3-5-9)6-10-7-11/h2-5H,6H2,1H3
InChIKey
QRBHVARIMDDOOV-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1)CN=C=O
Isomeric Smiles
C(=NCc1ccc(cc1)OC)=O
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.5241823
LogD (pH = 7.4)
1.5241823
Log P
1.5241823
Molar Refractivity
44.414
Polarizability
17.02169
Polar Surface Area
38.66
Rotatable Bonds
3
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