Molecule

ID:52706

General Information
Structure
MolImage
Molecular Formula
C₇H₁₁N₃
Molecular Mass
137.18234
Exact Mass
137.09529737
Charge
0
InChI
InChI=1S/C7H11N3/c1-6-4-7(5-10-8)2-3-9-6/h2-4,10H,5,8H2,1H3
InChIKey
RIKMSCWREYJNKE-UHFFFAOYSA-N
Canonic Smiles
NNCc1ccnc(c1)C
Isomeric Smiles
c1c(nccc1CNN)C
Calculated Properties
JChem
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-0.36712816
LogD (pH = 7.4)
-0.17492673
Log P
-0.17194343
Molar Refractivity
51.9429
Polarizability
15.888008
Polar Surface Area
50.94
Rotatable Bonds
2
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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