Molecule

ID:45931

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₄ClNO
Molecular Mass
211.68796
Exact Mass
211.07639175
Charge
0
InChI
InChI=1S/C11H14ClNO/c1-7-3-8(2)11(10(12)4-7)14-9-5-13-6-9/h3-4,9,13H,5-6H2,1-2H3
InChIKey
MKCPAKZFFOTCED-UHFFFAOYSA-N
Canonic Smiles
Cc1cc(C)c(c(c1)Cl)OC1CNC1
Isomeric Smiles
c1(c(cc(cc1C)C)Cl)OC1CNC1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.12918209
LogD (pH = 7.4)
1.7844801
Log P
2.9703007
Molar Refractivity
57.834
Polarizability
22.738222
Polar Surface Area
21.26
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