Molecule

ID:87460

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₃N₃
Molecular Mass
175.23032
Exact Mass
175.11094743
Charge
0
InChI
InChI=1S/C10H13N3/c1-7(11)9-5-3-4-8-6-13(2)12-10(8)9/h3-7H,11H2,1-2H3
InChIKey
KLHFTTBZNKKZAM-UHFFFAOYSA-N
Canonic Smiles
Cn1cc2c(n1)c(ccc2)C(N)C
Isomeric Smiles
n1(C)nc2c(c1)cccc2C(C)N
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.6850929
LogD (pH = 7.4)
-0.9009645
Log P
1.3187764
Molar Refractivity
63.9318
Polarizability
21.670855
Polar Surface Area
43.84
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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