Molecule

ID:121726

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₁ClN₂
Molecular Mass
254.71424
Exact Mass
254.06107604
Charge
0
InChI
InChI=1S/C15H11ClN2/c16-15-13-9-5-4-8-12(13)14(17-18-15)10-11-6-2-1-3-7-11/h1-9H,10H2
InChIKey
COIJTZLLJUXFNV-UHFFFAOYSA-N
Canonic Smiles
Clc1nnc(c2c1cccc2)Cc1ccccc1
Isomeric Smiles
n1nc(c2c(c1Cc1ccccc1)cccc2)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.5551922
LogD (pH = 7.4)
3.5552118
Log P
3.555212
Molar Refractivity
75.3941
Polarizability
29.394703
Polar Surface Area
25.78
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