Molecule

ID:46044

General Information
Structure
Molecular Formula
C₉H₁₀ClNO
Molecular Mass
183.6348
Exact Mass
183.04509163
Charge
0
InChI
InChI=1S/C9H10ClNO/c10-7-1-3-8(4-2-7)12-9-5-11-6-9/h1-4,9,11H,5-6H2
InChIKey
LQKDDYJEXTWRLZ-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(cc1)OC1CNC1
Isomeric Smiles
N1CC(Oc2ccc(Cl)cc2)C1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.90439135
LogD (pH = 7.4)
0.74721396
Log P
1.943458
Molar Refractivity
47.7516
Polarizability
19.185614
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