Molecule

ID:63211

General Information
Structure
MolImage
Molecular Formula
C₅H₆N₂O
Molecular Mass
110.11394
Exact Mass
110.04801282
Charge
0
InChI
InChI=1S/C5H6N2O/c8-3-5-1-6-4-7-2-5/h1-2,4,8H,3H2
InChIKey
TYRDEZUMAVRTEO-UHFFFAOYSA-N
Canonic Smiles
OCc1cncnc1
Isomeric Smiles
c1(cncnc1)CO
Calculated Properties
JChem
Acid pKa
14.343516
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.71763414
LogD (pH = 7.4)
-0.7176146
Log P
-0.7176143
Molar Refractivity
29.5382
Polarizability
11.011792
Polar Surface Area
46.01
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