Molecule

ID:86513

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₅ClN₂O₃
Molecular Mass
294.7335
Exact Mass
294.07712003
Charge
0
InChI
InChI=1S/C14H15ClN2O3/c1-2-20-13(18)11-10(8-15)16-14(19)17-12(11)9-6-4-3-5-7-9/h3-7,12H,2,8H2,1H3,(H2,16,17,19)
InChIKey
BJYPUOCKWBTIGT-UHFFFAOYSA-N
Canonic Smiles
ClCC1=C(C(=O)OCC)C(NC(=O)N1)c1ccccc1
Isomeric Smiles
N1C(=C(C(c2ccccc2)NC1=O)C(=O)OCC)CCl
Calculated Properties
JChem
Acid pKa
12.182
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
1.5479841
LogD (pH = 7.4)
1.5479779
Log P
1.5479842
Molar Refractivity
76.0286
Polarizability
29.07314
Polar Surface Area
67.43
Rotatable Bonds
5
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