Molecule

ID:20083

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₄ClNO₂
Molecular Mass
263.71946
Exact Mass
263.07130637
Charge
0
InChI
InChI=1S/C14H14ClNO2/c1-2-17-11-4-6-12(7-5-11)18-14-8-3-10(16)9-13(14)15/h3-9H,2,16H2,1H3
InChIKey
ROBIZIQQNBEKFL-UHFFFAOYSA-N
Canonic Smiles
CCOc1ccc(cc1)Oc1ccc(cc1Cl)N
Isomeric Smiles
c1(c(cc(N)cc1)Cl)Oc1ccc(cc1)OCC
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
3.4428794
LogD (pH = 7.4)
3.4477262
Log P
3.4477885
Molar Refractivity
73.0158
Polarizability
28.038416
Polar Surface Area
44.48
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