Molecule

ID:90144

General Information
Structure
MolImage
Molecular Formula
C₈H₁₃ClN₂
Molecular Mass
172.65522
Exact Mass
172.07672611
Charge
0
InChI
InChI=1S/C8H12N2.ClH/c1-6-4-3-5-8(10-9)7(6)2;/h3-5,10H,9H2,1-2H3;1H
InChIKey
UKAYNIJBIXNDDJ-UHFFFAOYSA-N
Canonic Smiles
NNc1cccc(c1C)C.Cl
Isomeric Smiles
N(c1c(c(ccc1)C)C)N.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
2.136637
LogD (pH = 7.4)
2.3873806
Log P
2.3917313
Molar Refractivity
45.8471
Polarizability
16.438433
Polar Surface Area
38.05
Rotatable Bonds
1
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