Molecule

ID:34490

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₅ClN₂
Molecular Mass
198.6925
Exact Mass
198.09237617
Charge
0
InChI
InChI=1S/C10H15ClN2/c1-10(2,12)7-13-9-5-3-4-8(11)6-9/h3-6,13H,7,12H2,1-2H3
InChIKey
IKWXSOGQJGFBFT-UHFFFAOYSA-N
Canonic Smiles
Clc1cccc(c1)NCC(N)(C)C
Isomeric Smiles
c1c(cccc1NCC(C)(N)C)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-1.0712076
LogD (pH = 7.4)
-0.57583624
Log P
1.9502366
Molar Refractivity
58.0634
Polarizability
22.222355
Polar Surface Area
38.05
Rotatable Bonds
3
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