Molecule

ID:57257

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₀N₂
Molecular Mass
170.2105
Exact Mass
170.08439833
Charge
0
InChI
InChI=1S/C11H10N2/c1-2-13-6-5-10-7-9(8-12)3-4-11(10)13/h3-7H,2H2,1H3
InChIKey
CUDKGPNSGMKSPF-UHFFFAOYSA-N
Canonic Smiles
N#Cc1ccc2c(c1)ccn2CC
Isomeric Smiles
c1(ccc2c(c1)ccn2CC)C#N
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.508588
LogD (pH = 7.4)
2.508588
Log P
2.508588
Molar Refractivity
52.5114
Polarizability
21.034227
Polar Surface Area
28.72
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