Molecule

ID:35481

General Information
Structure
MolImage
Molecular Formula
C₇H₁₃N₃
Molecular Mass
139.19822
Exact Mass
139.11094743
Charge
0
InChI
InChI=1S/C7H13N3/c1-6-7(4-8-2)5-10(3)9-6/h5,8H,4H2,1-3H3
InChIKey
VRIUFQOIUWBJCX-UHFFFAOYSA-N
Canonic Smiles
CNCc1cn(nc1C)C
Isomeric Smiles
c1(c(nn(c1)C)C)CNC
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.99214
LogD (pH = 7.4)
-1.6011038
Log P
0.09082487
Molar Refractivity
52.8009
Polarizability
15.861758
Polar Surface Area
29.85
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