Molecule

ID:82967

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₆ClN
Molecular Mass
185.69374
Exact Mass
185.0971272
Charge
0
InChI
InChI=1S/C10H15N.ClH/c1-10(2,3)8-6-4-5-7-9(8)11;/h4-7H,11H2,1-3H3;1H
InChIKey
KPJUKKJWHVFWLF-UHFFFAOYSA-N
Canonic Smiles
Nc1ccccc1C(C)(C)C.Cl
Isomeric Smiles
Nc1c(cccc1)C(C)(C)C.Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.665867
LogD (pH = 7.4)
2.6890721
Log P
2.689376
Molar Refractivity
49.4243
Polarizability
18.80181
Polar Surface Area
26.02
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
Click here to submit data
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