Molecule
ID:124502
General Information
Molecular Formula
C₁₀H₁₃ClN₂O
Molecular Mass
212.67602
Exact Mass
212.07164073
Charge
0
InChI
InChI=1S/C10H12N2O.ClH/c11-8-6-5-7-3-1-2-4-9(7)12-10(8)13;/h1-4,8H,5-6,11H2,(H,12,13);1H
InChIKey
YLMCGKNBANDCGY-UHFFFAOYSA-N
Canonic Smiles
O=C1Nc2ccccc2CCC1N.Cl
Isomeric Smiles
N1C(=O)C(CCc2c1cccc2)N.Cl
Calculated Properties
JChem
Acid pKa
13.129411
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-1.5979009
LogD (pH = 7.4)
0.061908904
Log P
0.98323977
Molar Refractivity
51.9366
Polarizability
19.684748
Polar Surface Area
55.12
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Loading...
Names and Identifiers
Loading...
Registration numbers
Loading...
Properties
Loading...
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
Loading...
Bioactivity
Loading...