Molecule

ID:19596

General Information
Structure
MolImage
Molecular Formula
C₁₉H₁₆ClNO
Molecular Mass
309.78944
Exact Mass
309.09204182
Charge
0
InChI
InChI=1S/C19H16ClNO/c20-16-10-6-11-17(21)19(16)22-18-12-5-4-9-15(18)13-14-7-2-1-3-8-14/h1-12H,13,21H2
InChIKey
AUVYOKVMOFPVMV-UHFFFAOYSA-N
Canonic Smiles
Nc1cccc(c1Oc1ccccc1Cc1ccccc1)Cl
Isomeric Smiles
c1(Oc2c(Cc3ccccc3)cccc2)c(N)cccc1Cl
Calculated Properties
JChem
Acid pKa
19.961926
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
5.339987
LogD (pH = 7.4)
5.34044
Log P
5.3404455
Molar Refractivity
91.5412
Polarizability
35.056503
Polar Surface Area
35.25
Rotatable Bonds
4
Lipinski's Rule of Five
false
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