Molecule

ID:58367

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₁ClN₂O₃
Molecular Mass
266.68034
Exact Mass
266.0458199
Charge
0
InChI
InChI=1S/C12H11ClN2O3/c13-11-7-9(15(17)18)4-5-12(11)14-8-2-1-3-10(16)6-8/h4-7,14H,1-3H2
InChIKey
NBQMFAJZHOFNHM-UHFFFAOYSA-N
Canonic Smiles
O=C1CCCC(=C1)Nc1ccc(cc1Cl)[N+](=O)[O-]
Isomeric Smiles
C1CCC(=CC1=O)Nc1c(cc(cc1)[N+](=O)[O-])Cl
Calculated Properties
JChem
Acid pKa
14.404445
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
2.6375942
LogD (pH = 7.4)
2.6375942
Log P
2.6375942
Molar Refractivity
71.507
Polarizability
25.431421
Polar Surface Area
74.92
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