Molecule

ID:46046

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₂ClNO
Molecular Mass
197.66138
Exact Mass
197.06074169
Charge
0
InChI
InChI=1S/C10H12ClNO/c1-7-4-8(2-3-10(7)11)13-9-5-12-6-9/h2-4,9,12H,5-6H2,1H3
InChIKey
RWQBSKKQESMJET-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(cc1C)OC1CNC1
Isomeric Smiles
N1CC(Oc2cc(c(cc2)Cl)C)C1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.3929905
LogD (pH = 7.4)
1.2574822
Log P
2.4568794
Molar Refractivity
52.7928
Polarizability
20.947887
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