Molecule

ID:37640

General Information
Structure
Molecular Formula
C₁₅H₁₅ClN₂O₃
Molecular Mass
306.7442
Exact Mass
306.07712003
Charge
0
InChI
InChI=1S/C15H15ClN2O3/c16-11-1-2-13-12(6-11)9(7-17-13)3-4-18-8-10(15(20)21)5-14(18)19/h1-2,6-7,10,17H,3-5,8H2,(H,20,21)
InChIKey
MPJNCCCVRNGQIZ-UHFFFAOYSA-N
Canonic Smiles
OC(=O)C1CC(=O)N(C1)CCc1c[nH]c2c1cc(Cl)cc2
Isomeric Smiles
N1(C(=O)CC(C1)C(=O)O)CCc1c2c([nH]c1)ccc(c2)Cl
Calculated Properties
JChem
Acid pKa
4.2380066
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
0.4558752
LogD (pH = 7.4)
-1.2685804
Log P
1.7386597
Molar Refractivity
78.4994
Polarizability
31.293934
Polar Surface Area
73.4
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