Molecule

ID:47652

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₅ClN₂
Molecular Mass
258.746
Exact Mass
258.09237617
Charge
0
InChI
InChI=1S/C15H15ClN2/c16-12-7-8-15(13(17)10-12)18-9-3-5-11-4-1-2-6-14(11)18/h1-2,4,6-8,10H,3,5,9,17H2
InChIKey
ZQIRXJGHMJUXIL-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(c(c1)N)N1CCCc2c1cccc2
Isomeric Smiles
N1(c2c(cc(cc2)Cl)N)c2c(CCC1)cccc2
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
3.8958538
LogD (pH = 7.4)
3.8964164
Log P
3.8964236
Molar Refractivity
76.8567
Polarizability
28.771835
Polar Surface Area
29.26
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