Molecule

ID:57592

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₆N₂O₂
Molecular Mass
196.24624
Exact Mass
196.12117776
Charge
0
InChI
InChI=1S/C10H16N2O2/c1-4-9-7(2)11-12(8(9)3)6-5-10(13)14/h4-6H2,1-3H3,(H,13,14)
InChIKey
OWRQOTQSSHRKNO-UHFFFAOYSA-N
Canonic Smiles
CCc1c(C)nn(c1C)CCC(=O)O
Isomeric Smiles
n1(c(c(c(n1)C)CC)C)CCC(=O)O
Calculated Properties
JChem
Acid pKa
4.501078
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.30010915
LogD (pH = 7.4)
-1.4556019
Log P
1.1699048
Molar Refractivity
65.1288
Polarizability
20.326202
Polar Surface Area
55.12
Rotatable Bonds
4
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