Molecule

ID:51132

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₃N₃
Molecular Mass
187.24102
Exact Mass
187.11094743
Charge
0
InChI
InChI=1S/C11H13N3/c12-7-9-14-8-6-11(13-14)10-4-2-1-3-5-10/h1-6,8H,7,9,12H2
InChIKey
XGJZYXZSZKPQKF-UHFFFAOYSA-N
Canonic Smiles
NCCn1ccc(n1)c1ccccc1
Isomeric Smiles
n1c(ccn1CCN)c1ccccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.3630309
LogD (pH = 7.4)
-0.5367054
Log P
1.6371977
Molar Refractivity
67.6754
Polarizability
23.286348
Polar Surface Area
43.84
Rotatable Bonds
3
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