Molecule

ID:38302

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₆ClNO₃
Molecular Mass
293.74544
Exact Mass
293.08187106
Charge
0
InChI
InChI=1S/C15H16ClNO3/c1-15(2,3)20-14(19)17-9-11(13(18)8-16)10-6-4-5-7-12(10)17/h4-7,9H,8H2,1-3H3
InChIKey
CEGLFESSRCCITR-UHFFFAOYSA-N
Canonic Smiles
ClCC(=O)c1cn(c2c1cccc2)C(=O)OC(C)(C)C
Isomeric Smiles
n1(cc(c2ccccc12)C(=O)CCl)C(=O)OC(C)(C)C
Calculated Properties
JChem
Acid pKa
14.698392
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.160059
LogD (pH = 7.4)
3.160059
Log P
3.160059
Molar Refractivity
77.0
Polarizability
31.046293
Polar Surface Area
48.3
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