Molecule

ID:87465

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₃N₃
Molecular Mass
175.23032
Exact Mass
175.11094743
Charge
0
InChI
InChI=1S/C10H13N3/c1-13-10-4-2-3-8(5-6-11)9(10)7-12-13/h2-4,7H,5-6,11H2,1H3
InChIKey
NIRMPNFSVIIPGK-UHFFFAOYSA-N
Canonic Smiles
NCCc1cccc2c1cnn2C
Isomeric Smiles
n1cc2c(cccc2n1C)CCN
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.170625
LogD (pH = 7.4)
-1.4004767
Log P
0.8344134
Molar Refractivity
64.5175
Polarizability
21.58212
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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