Molecule

ID:114709

General Information
Structure
Molecular Formula
C₁₀H₁₃N₃
Molecular Mass
175.23032
Exact Mass
175.11094743
Charge
0
InChI
InChI=1S/C10H13N3/c1-8-3-2-6-13-7-9(4-5-11)12-10(8)13/h2-3,6-7H,4-5,11H2,1H3
InChIKey
UQHSMFRHNGALMY-UHFFFAOYSA-N
Canonic Smiles
NCCc1cn2c(n1)c(C)ccc2
Isomeric Smiles
c12n(cc(n1)CCN)cccc2C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.9627252
LogD (pH = 7.4)
-1.4226263
Log P
0.7172239
Molar Refractivity
53.6282
Polarizability
20.186884
Polar Surface Area
43.32
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