Molecule

ID:33341

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₉NO₂
Molecular Mass
185.26336
Exact Mass
185.14157885
Charge
0
InChI
InChI=1S/C10H19NO2/c1-9-5-3-4-7-11(9)8-6-10(12)13-2/h9H,3-8H2,1-2H3
InChIKey
PJCRNZVEJBXMEZ-UHFFFAOYSA-N
Canonic Smiles
COC(=O)CCN1CCCCC1C
Isomeric Smiles
N1(CCC(=O)OC)C(C)CCCC1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
-2.0256512
LogD (pH = 7.4)
-0.63421416
Log P
1.3180007
Molar Refractivity
52.102
Polarizability
20.710838
Polar Surface Area
29.54
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