Molecule

ID:48314

General Information
Structure
Molecular Formula
C₇H₁₁N₃
Molecular Mass
137.18234
Exact Mass
137.09529737
Charge
0
InChI
InChI=1S/C7H11N3/c1-10(2)7-4-3-6(8)5-9-7/h3-5H,8H2,1-2H3
InChIKey
OBOSXEWFRARQPU-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc(nc1)N(C)C
Isomeric Smiles
n1c(N(C)C)ccc(c1)N
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.55642766
LogD (pH = 7.4)
0.50134706
Log P
0.62914884
Molar Refractivity
43.3436
Polarizability
15.389099
Polar Surface Area
42.15
Rotatable Bonds
1
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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