Molecule

ID:28829

General Information
Structure
MolImage
Molecular Formula
C₈H₁₀ClN
Molecular Mass
155.6247
Exact Mass
155.05017701
Charge
0
InChI
InChI=1S/C8H10ClN/c1-6-7(9)4-3-5-8(6)10-2/h3-5,10H,1-2H3
InChIKey
XAEPSTFCZJTYLE-UHFFFAOYSA-N
Canonic Smiles
CNc1cccc(c1C)Cl
Isomeric Smiles
c1(c(NC)cccc1Cl)C
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.542425
LogD (pH = 7.4)
2.5632184
Log P
2.56349
Molar Refractivity
46.0978
Polarizability
16.93322
Polar Surface Area
12.03
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