Molecule

ID:33040

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₅ClN₂
Molecular Mass
198.6925
Exact Mass
198.09237617
Charge
0
InChI
InChI=1S/C10H14N2.ClH/c11-6-8-12-7-5-9-3-1-2-4-10(9)12;/h1-4H,5-8,11H2;1H
InChIKey
JEJMJDSCENNHIF-UHFFFAOYSA-N
Canonic Smiles
NCCN1CCc2c1cccc2.Cl
Isomeric Smiles
N1(c2c(CC1)cccc2)CCN.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.673983
LogD (pH = 7.4)
-0.82626426
Log P
1.3241944
Molar Refractivity
51.746
Polarizability
19.5765
Polar Surface Area
29.26
Rotatable Bonds
2
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