Molecule

ID:16512

General Information
Structure
MolImage
Molecular Formula
C₇H₁₃N₃
Molecular Mass
139.19822
Exact Mass
139.11094743
Charge
0
InChI
InChI=1S/C7H13N3/c1-4-6-5(2)7(8)10(3)9-6/h4,8H2,1-3H3
InChIKey
IIMVUQKZPSYYBD-UHFFFAOYSA-N
Canonic Smiles
CCc1nn(c(c1C)N)C
Isomeric Smiles
c1(c(c(n(n1)C)N)C)CC
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.9837763
LogD (pH = 7.4)
1.0065007
Log P
1.0067984
Molar Refractivity
53.1747
Polarizability
15.397035
Polar Surface Area
43.84
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
References
Bioactivity
Navigation