Molecule

ID:68917

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₄ClN
Molecular Mass
183.67786
Exact Mass
183.08147713
Charge
0
InChI
InChI=1S/C10H13N.ClH/c1-2-5-10-8-11-7-3-6-9(10)4-1;/h1-2,4-5,11H,3,6-8H2;1H
InChIKey
BFCKHRQBCQWCLU-UHFFFAOYSA-N
Canonic Smiles
C1NCc2c(CC1)cccc2.Cl
Isomeric Smiles
N1Cc2c(CCC1)cccc2.Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-1.1909901
LogD (pH = 7.4)
-0.34301987
Log P
2.0160518
Molar Refractivity
47.2166
Polarizability
18.461323
Polar Surface Area
12.03
Rotatable Bonds
0
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