Molecule

ID:14158

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₃ClN₂O₂
Molecular Mass
276.71822
Exact Mass
276.06655535
Charge
0
InChI
InChI=1S/C14H13ClN2O2/c1-19-13-8-11(16)6-7-12(13)17-14(18)9-2-4-10(15)5-3-9/h2-8H,16H2,1H3,(H,17,18)
InChIKey
ACAYKXVXHCSWSH-UHFFFAOYSA-N
Canonic Smiles
COc1cc(N)ccc1NC(=O)c1ccc(cc1)Cl
Isomeric Smiles
c1(c(cc(cc1)N)OC)NC(=O)c1ccc(cc1)Cl
Calculated Properties
JChem
Acid pKa
11.827037
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
2.6780672
LogD (pH = 7.4)
2.6825056
Log P
2.682578
Molar Refractivity
77.5599
Polarizability
28.47362
Polar Surface Area
64.35
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