Molecule

ID:17377

General Information
Structure
MolImage
Molecular Formula
C₉H₁₄ClNO₃
Molecular Mass
219.66536
Exact Mass
219.06622099
Charge
0
InChI
InChI=1S/C9H14ClNO3/c1-14-9(13)7-2-4-11(5-3-7)8(12)6-10/h7H,2-6H2,1H3
InChIKey
HGVZLLDJJQJDAE-UHFFFAOYSA-N
Canonic Smiles
COC(=O)C1CCN(CC1)C(=O)CCl
Isomeric Smiles
C1(C(=O)OC)CCN(CC1)C(=O)CCl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.17341231
LogD (pH = 7.4)
0.17341231
Log P
0.17341231
Molar Refractivity
52.1635
Polarizability
20.502975
Polar Surface Area
46.61
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