Molecule

ID:87459

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₃N₃
Molecular Mass
175.23032
Exact Mass
175.11094743
Charge
0
InChI
InChI=1S/C10H13N3/c1-7(11)8-3-4-9-6-13(2)12-10(9)5-8/h3-7H,11H2,1-2H3
InChIKey
DCZVEEJJRQFVBS-UHFFFAOYSA-N
Canonic Smiles
Cn1cc2c(n1)cc(cc2)C(N)C
Isomeric Smiles
n1(cc2ccc(cc2n1)C(C)N)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.6725508
LogD (pH = 7.4)
-0.7616938
Log P
1.3187764
Molar Refractivity
63.9318
Polarizability
21.669651
Polar Surface Area
43.84
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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