Molecule

ID:62256

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₃ClN₂O
Molecular Mass
212.67602
Exact Mass
212.07164073
Charge
0
InChI
InChI=1S/C10H12N2O.ClH/c13-10(8-6-11-7-8)12-9-4-2-1-3-5-9;/h1-5,8,11H,6-7H2,(H,12,13);1H
InChIKey
BHQOWVYWHVYYFA-UHFFFAOYSA-N
Canonic Smiles
O=C(C1CNC1)Nc1ccccc1.Cl
Isomeric Smiles
Cl.C(=O)(Nc1ccccc1)C1CNC1
Calculated Properties
JChem
Acid pKa
13.922908
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-2.4176686
LogD (pH = 7.4)
-1.2382202
Log P
0.73721164
Molar Refractivity
51.8426
Polarizability
19.687483
Polar Surface Area
41.13
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