Molecule

ID:116406

General Information
Structure
Molecular Formula
C₇H₁₁N₃
Molecular Mass
137.18234
Exact Mass
137.09529737
Charge
0
InChI
InChI=1S/C7H11N3/c1-10-7(8)5-3-2-4-6(5)9-10/h2-4,8H2,1H3
InChIKey
GEWGAHBJEYYFKI-UHFFFAOYSA-N
Canonic Smiles
Nc1n(C)nc2c1CCC2
Isomeric Smiles
c1(c2c(nn1C)CCC2)N
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.5231975
LogD (pH = 7.4)
0.54281646
Log P
0.5430724
Molar Refractivity
51.3725
Polarizability
14.672507
Polar Surface Area
43.84
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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