Molecule

ID:89714

General Information
Structure
MolImage
Molecular Formula
C₇H₄ClN
Molecular Mass
137.56636
Exact Mass
137.00322681
Charge
0
InChI
InChI=1S/C7H4ClN/c1-2-6-4-3-5-7(8)9-6/h1,3-5H
InChIKey
ZOHUJSRUQYVASP-UHFFFAOYSA-N
Canonic Smiles
C#Cc1cccc(n1)Cl
Isomeric Smiles
n1c(cccc1Cl)C#C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.11648
LogD (pH = 7.4)
2.1164808
Log P
2.1164808
Molar Refractivity
34.5675
Polarizability
13.939921
Polar Surface Area
12.89
Rotatable Bonds
0
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