Molecule

ID:40206

General Information
Structure
MolImage
Molecular Formula
C₁₀H₇N₃
Molecular Mass
169.18268
Exact Mass
169.06399724
Charge
0
InChI
InChI=1S/C10H7N3/c11-7-9-1-3-10(4-2-9)13-6-5-12-8-13/h1-6,8H
InChIKey
GYFGZFJGMRRTTP-UHFFFAOYSA-N
Canonic Smiles
N#Cc1ccc(cc1)n1cncc1
Isomeric Smiles
n1(cncc1)c1ccc(cc1)C#N
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.1171695
LogD (pH = 7.4)
1.559958
Log P
1.5925065
Molar Refractivity
59.728
Polarizability
19.256195
Polar Surface Area
41.61
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