Molecule

ID:45583

General Information
Structure
Molecular Formula
C₁₂H₁₅ClN₂O₄
Molecular Mass
286.7115
Exact Mass
286.07203465
Charge
0
InChI
InChI=1S/C12H14N2O4.ClH/c1-17-12(16)10-6-9(7-14-10)18-11(15)8-2-4-13-5-3-8;/h2-5,9-10,14H,6-7H2,1H3;1H/t9-,10-;/m0./s1
InChIKey
QXYZAFFRECZRLV-IYPAPVHQSA-N
Canonic Smiles
COC(=O)[C@H]1NC[C@H](C1)OC(=O)c1ccncc1.Cl
Isomeric Smiles
C(=O)(O[C@H]1C[C@H](NC1)C(=O)OC)c1ccncc1.Cl
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-0.6973738
LogD (pH = 7.4)
0.14455746
Log P
0.17868246
Molar Refractivity
61.8164
Polarizability
24.685038
Polar Surface Area
77.52
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