Molecule

ID:28908

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₇Cl₂NO
Molecular Mass
310.21828
Exact Mass
309.06871953
Charge
0
InChI
InChI=1S/C16H17Cl2NO/c1-11-4-3-5-12(2)16(11)20-7-6-19-15-9-13(17)8-14(18)10-15/h3-5,8-10,19H,6-7H2,1-2H3
InChIKey
ZZZLXDWBWSKYCZ-UHFFFAOYSA-N
Canonic Smiles
Clc1cc(NCCOc2c(C)cccc2C)cc(c1)Cl
Isomeric Smiles
c1(c(cccc1C)C)OCCNc1cc(cc(c1)Cl)Cl
Calculated Properties
JChem
Acid pKa
19.748323
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
5.3231053
LogD (pH = 7.4)
5.3249817
Log P
5.3250055
Molar Refractivity
86.496
Polarizability
32.68657
Polar Surface Area
21.26
Rotatable Bonds
5
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