Molecule

ID:34657

General Information
Structure
MolImage
Molecular Formula
C₈H₁₃ClN₂O
Molecular Mass
188.65462
Exact Mass
188.07164073
Charge
0
InChI
InChI=1S/C8H12N2O.ClH/c1-2-11-8-5-3-7(10-9)4-6-8;/h3-6,10H,2,9H2,1H3;1H
InChIKey
RROBGBQPYPYDFT-UHFFFAOYSA-N
Canonic Smiles
CCOc1ccc(cc1)NN.Cl
Isomeric Smiles
N(c1ccc(cc1)OCC)N.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
1.3418322
LogD (pH = 7.4)
1.5603865
Log P
1.5640252
Molar Refractivity
46.9765
Polarizability
17.248121
Polar Surface Area
47.28
Rotatable Bonds
3
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