Molecule

ID:19140

General Information
Structure
MolImage
Molecular Formula
C₇H₁₁ClN₂O
Molecular Mass
174.62804
Exact Mass
174.05599066
Charge
0
InChI
InChI=1S/C7H10N2O.ClH/c1-10-7-4-2-3-6(5-7)9-8;/h2-5,9H,8H2,1H3;1H
InChIKey
GMXFZBZOVZOYNQ-UHFFFAOYSA-N
Canonic Smiles
NNc1cccc(c1)OC.Cl
Isomeric Smiles
c1cc(cc(c1)NN)OC.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
1.0079982
LogD (pH = 7.4)
1.2040452
Log P
1.2072172
Molar Refractivity
42.2279
Polarizability
15.406633
Polar Surface Area
47.28
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