Molecule

ID:124352

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₅ClN₂O₂
Molecular Mass
230.6913
Exact Mass
230.08220541
Charge
0
InChI
InChI=1S/C10H14N2O2.ClH/c11-8-3-5-12(6-4-8)10(13)9-2-1-7-14-9;/h1-2,7-8H,3-6,11H2;1H
InChIKey
OWJRKPGGYYPIBW-UHFFFAOYSA-N
Canonic Smiles
NC1CCN(CC1)C(=O)c1ccco1.Cl
Isomeric Smiles
C(=O)(N1CCC(CC1)N)c1occc1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-3.4751637
LogD (pH = 7.4)
-2.9062216
Log P
-0.45733732
Molar Refractivity
52.7025
Polarizability
20.059414
Polar Surface Area
59.47
Rotatable Bonds
1
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