Molecule

ID:75708

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₃N₃
Molecular Mass
175.23032
Exact Mass
175.11094743
Charge
0
InChI
InChI=1S/C10H13N3/c1-10(2,3)8-7-13-6-4-5-11-9(13)12-8/h4-7H,1-3H3
InChIKey
QCKNMBVCXLZFHY-UHFFFAOYSA-N
Canonic Smiles
CC(c1cn2c(n1)nccc2)(C)C
Isomeric Smiles
n1c2n(cc1C(C)(C)C)cccn2
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.7355247
LogD (pH = 7.4)
1.7381676
Log P
1.7382015
Molar Refractivity
53.0835
Polarizability
19.693417
Polar Surface Area
30.19
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