Molecule

ID:59035

General Information
Structure
MolImage
Molecular Formula
C₇H₁₀N₂O₂
Molecular Mass
154.1665
Exact Mass
154.07422757
Charge
0
InChI
InChI=1S/C7H10N2O2/c1-5-6(3-7(10)11)4-9(2)8-5/h4H,3H2,1-2H3,(H,10,11)
InChIKey
MOTZJMKCVVZYCH-UHFFFAOYSA-N
Canonic Smiles
Cc1nn(cc1CC(=O)O)C
Isomeric Smiles
n1(cc(c(n1)C)CC(=O)O)C
Calculated Properties
JChem
Acid pKa
4.04036
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.3716743
LogD (pH = 7.4)
-3.006608
Log P
-0.09587642
Molar Refractivity
50.8605
Polarizability
14.910765
Polar Surface Area
55.12
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