Molecule

ID:84772

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₉ClN₂O₂
Molecular Mass
282.76586
Exact Mass
282.11350554
Charge
0
InChI
InChI=1S/C14H19ClN2O2/c1-11(15)14(18)17-9-7-16(8-10-17)12-5-3-4-6-13(12)19-2/h3-6,11H,7-10H2,1-2H3/t11-/m1/s1
InChIKey
IBWLZKLBOVBADW-LLVKDONJSA-N
Canonic Smiles
COc1ccccc1N1CCN(CC1)C(=O)[C@H](Cl)C
Isomeric Smiles
N1(C(=O)[C@H](Cl)C)CCN(c2ccccc2OC)CC1
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.103511
LogD (pH = 7.4)
2.1037376
Log P
2.1037405
Molar Refractivity
76.5182
Polarizability
29.20108
Polar Surface Area
32.78
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
Click here to submit data
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