Molecule

ID:23594

General Information
Structure
MolImage
Molecular Formula
C₉H₁₁NO₂
Molecular Mass
165.18914
Exact Mass
165.0789786
Charge
0
InChI
InChI=1S/C9H11NO2/c1-2-9(10-12)7-3-5-8(11)6-4-7/h3-6,11-12H,2H2,1H3/b10-9-
InChIKey
PKYVORCYLUSKQL-KTKRTIGZSA-N
Canonic Smiles
CC/C(=N/O)/c1ccc(cc1)O
Isomeric Smiles
C(=N\O)(\c1ccc(cc1)O)/CC
Calculated Properties
JChem
Acid pKa
8.589607
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
1.936597
LogD (pH = 7.4)
1.9102533
Log P
1.9373436
Molar Refractivity
46.8903
Polarizability
17.860065
Polar Surface Area
52.82
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