Molecule

ID:87014

General Information
Structure
MolImage
Molecular Formula
C₇H₁₁N₃
Molecular Mass
137.18234
Exact Mass
137.09529737
Charge
0
InChI
InChI=1S/C7H11N3/c1-10-7(8)4-6(9-10)5-2-3-5/h4-5H,2-3,8H2,1H3
InChIKey
YWHWPIRLFHZSFS-UHFFFAOYSA-N
Canonic Smiles
Nc1cc(nn1C)C1CC1
Isomeric Smiles
n1c(C2CC2)cc(n1C)N
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.5560029
LogD (pH = 7.4)
0.5724239
Log P
0.5726373
Molar Refractivity
50.9058
Polarizability
14.74891
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
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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