Molecule

ID:75900

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₁N₃
Molecular Mass
185.22514
Exact Mass
185.09529737
Charge
0
InChI
InChI=1S/C11H11N3/c12-8-9-3-1-4-10(7-9)11-13-5-2-6-14-11/h1-7H,8,12H2
InChIKey
MXSXDKVANPZCBQ-UHFFFAOYSA-N
Canonic Smiles
NCc1cccc(c1)c1ncccn1
Isomeric Smiles
n1c(nccc1)c1cccc(c1)CN
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.5871168
LogD (pH = 7.4)
-0.3747193
Log P
1.5301865
Molar Refractivity
66.6068
Polarizability
22.220407
Polar Surface Area
51.8
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