Molecule

ID:43169

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₀N₂O
Molecular Mass
174.1992
Exact Mass
174.07931295
Charge
0
InChI
InChI=1S/C10H10N2O/c13-8-9-2-4-10(5-3-9)12-7-1-6-11-12/h1-7,13H,8H2
InChIKey
MMGMLIHSHFKRDK-UHFFFAOYSA-N
Canonic Smiles
OCc1ccc(cc1)n1cccn1
Isomeric Smiles
n1(nccc1)c1ccc(cc1)CO
Calculated Properties
JChem
Acid pKa
15.085996
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.2916574
LogD (pH = 7.4)
1.2917138
Log P
1.2917145
Molar Refractivity
51.2356
Polarizability
19.865997
Polar Surface Area
38.05
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