Molecule

ID:57085

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₃N₃
Molecular Mass
175.23032
Exact Mass
175.11094743
Charge
0
InChI
InChI=1S/C10H13N3/c1-2-7-13-9-6-4-3-5-8(9)12-10(13)11/h3-6H,2,7H2,1H3,(H2,11,12)
InChIKey
MGKUHRRJQCKXOW-UHFFFAOYSA-N
Canonic Smiles
CCCn1c(N)nc2c1cccc2
Isomeric Smiles
c1ccc2n(c(nc2c1)N)CCC
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.82652587
LogD (pH = 7.4)
1.6229165
Log P
2.2178345
Molar Refractivity
53.3115
Polarizability
21.25804
Polar Surface Area
43.84
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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