Molecule

ID:76227

General Information
Structure
MolImage
Molecular Formula
C₁₇H₁₈Cl₂N₂
Molecular Mass
321.24422
Exact Mass
320.08470395
Charge
0
InChI
InChI=1S/C17H18Cl2N2/c18-15-10-14(11-16(19)12-15)17(13-4-2-1-3-5-13)21-8-6-20-7-9-21/h1-5,10-12,17,20H,6-9H2
InChIKey
NKUCMZXLDJSIKD-UHFFFAOYSA-N
Canonic Smiles
Clc1cc(Cl)cc(c1)C(c1ccccc1)N1CCNCC1
Isomeric Smiles
N1(C(c2cc(cc(c2)Cl)Cl)c2ccccc2)CCNCC1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.2534117
LogD (pH = 7.4)
2.5677478
Log P
4.3710437
Molar Refractivity
89.2485
Polarizability
35.175426
Polar Surface Area
15.27
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
Click here to submit data
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