Molecule

ID:24593

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₀N₂O
Molecular Mass
174.1992
Exact Mass
174.07931295
Charge
0
InChI
InChI=1S/C10H10N2O/c11-6-7-3-4-9(13)10-8(7)2-1-5-12-10/h1-5,13H,6,11H2
InChIKey
KMNQWCOAYXOQKY-UHFFFAOYSA-N
Canonic Smiles
NCc1ccc(c2c1cccn2)O
Isomeric Smiles
c12c(c(ccc2O)CN)cccn1
Calculated Properties
JChem
Acid pKa
8.676765
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-2.0149524
LogD (pH = 7.4)
-0.9590038
Log P
0.097503096
Molar Refractivity
50.4336
Polarizability
20.958214
Polar Surface Area
59.14
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