Molecule

ID:65300

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₇NO₂
Molecular Mass
183.24748
Exact Mass
183.12592879
Charge
0
InChI
InChI=1S/C10H17NO2/c1-5-8-6-11(7-8)9(12)13-10(2,3)4/h5,8H,1,6-7H2,2-4H3
InChIKey
YASOUSGMWNLROI-UHFFFAOYSA-N
Canonic Smiles
C=CC1CN(C1)C(=O)OC(C)(C)C
Isomeric Smiles
C1C(CN1C(=O)OC(C)(C)C)C=C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.5986537
LogD (pH = 7.4)
1.5986537
Log P
1.5986537
Molar Refractivity
51.6464
Polarizability
20.081154
Polar Surface Area
29.54
Rotatable Bonds
3
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