Molecule

ID:34583

General Information
Structure
MolImage
Molecular Formula
C₇H₁₀N₂O₂
Molecular Mass
154.1665
Exact Mass
154.07422757
Charge
0
InChI
InChI=1S/C7H10N2O2/c1-5-3-8-9(4-5)6(2)7(10)11/h3-4,6H,1-2H3,(H,10,11)
InChIKey
SZJMPHMZGHRQRZ-UHFFFAOYSA-N
Canonic Smiles
CC(n1cc(cn1)C)C(=O)O
Isomeric Smiles
n1(ncc(c1)C)C(C(=O)O)C
Calculated Properties
JChem
Acid pKa
3.7974799
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.75927573
LogD (pH = 7.4)
-2.309591
Log P
0.8568648
Molar Refractivity
50.5811
Polarizability
14.990931
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