Molecule

ID:37133

General Information
Structure
MolImage
Molecular Formula
C₈H₁₃N₃
Molecular Mass
151.20892
Exact Mass
151.11094743
Charge
0
InChI
InChI=1S/C8H13N3/c1-5(2)7-4-8(9)11-6(3)10-7/h4-5H,1-3H3,(H2,9,10,11)
InChIKey
FNCJZLLRTUWMMJ-UHFFFAOYSA-N
Canonic Smiles
Nc1cc(nc(n1)C)C(C)C
Isomeric Smiles
n1c(cc(nc1C)C(C)C)N
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.40312222
LogD (pH = 7.4)
1.6661508
Log P
1.7867442
Molar Refractivity
46.1535
Polarizability
16.882362
Polar Surface Area
51.8
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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