Molecule

ID:66306

General Information
Structure
MolImage
Molecular Formula
C₁₀H₉NO
Molecular Mass
159.18456
Exact Mass
159.06841391
Charge
0
InChI
InChI=1S/C10H9NO/c1-7-2-3-9-8(6-12)5-11-10(9)4-7/h2-6,11H,1H3
InChIKey
LZERQSJGPXFAKB-UHFFFAOYSA-N
Canonic Smiles
O=Cc1c[nH]c2c1ccc(c2)C
Isomeric Smiles
[nH]1cc(c2ccc(cc12)C)C=O
Calculated Properties
JChem
Acid pKa
13.743879
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.2979314
LogD (pH = 7.4)
2.2979314
Log P
2.2979314
Molar Refractivity
48.7697
Polarizability
19.238628
Polar Surface Area
32.86
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