Molecule

ID:118558

General Information
Structure
MolImage
Molecular Formula
C₄H₆N₂O
Molecular Mass
98.10324
Exact Mass
98.04801282
Charge
0
InChI
InChI=1S/C4H6N2O/c5-3-4-1-2-6-7-4/h1-2H,3,5H2
InChIKey
OYNWFDBANWIYDA-UHFFFAOYSA-N
Canonic Smiles
NCc1ccno1
Isomeric Smiles
n1oc(cc1)CN
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.8040605
LogD (pH = 7.4)
-1.1270664
Log P
-0.6164392
Molar Refractivity
25.8509
Polarizability
9.698669
Polar Surface Area
52.05
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