Molecule

ID:116167

General Information
Structure
Molecular Formula
C₅H₇NO₂
Molecular Mass
113.11458
Exact Mass
113.04767847
Charge
0
InChI
InChI=1S/C5H7NO2/c7-5-4-1-3(8-5)2-6-4/h3-4,6H,1-2H2/t3?,4-/m0/s1
InChIKey
WAWSGFGXFSUXIA-BKLSDQPFSA-N
Canonic Smiles
C1[C@H]2NC[C@H]1OC2=O
Isomeric Smiles
C1(=O)O[C@H]2C[C@H]1NC2
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.2242599
LogD (pH = 7.4)
-0.59862816
Log P
-0.5803679
Molar Refractivity
25.89
Polarizability
10.8256035
Polar Surface Area
38.33
Rotatable Bonds
0
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