Molecule

ID:86255

General Information
Structure
Molecular Formula
C₈H₁₀ClN
Molecular Mass
155.6247
Exact Mass
155.05017701
Charge
0
InChI
InChI=1S/C8H10ClN/c1-10(2)8-5-3-4-7(9)6-8/h3-6H,1-2H3
InChIKey
CHHCCYVOJBBCIY-UHFFFAOYSA-N
Canonic Smiles
Clc1cccc(c1)N(C)C
Isomeric Smiles
N(c1cc(ccc1)Cl)(C)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.6839335
LogD (pH = 7.4)
2.6853168
Log P
2.6853344
Molar Refractivity
45.2914
Polarizability
17.01039
Polar Surface Area
3.24
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
References
Bioactivity
Navigation