Molecule

ID:20130

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₆ClNO
Molecular Mass
249.73594
Exact Mass
249.09204182
Charge
0
InChI
InChI=1S/C14H15NO.ClH/c1-10-3-8-14(11(2)9-10)16-13-6-4-12(15)5-7-13;/h3-9H,15H2,1-2H3;1H
InChIKey
SSQWOBGRZBKRIX-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc(cc1)Oc1ccc(cc1C)C.Cl
Isomeric Smiles
c1(Oc2ccc(N)cc2)c(C)cc(cc1)C.Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
3.6410677
LogD (pH = 7.4)
3.6710536
Log P
3.67145
Molar Refractivity
67.0816
Polarizability
25.355093
Polar Surface Area
35.25
Rotatable Bonds
2
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