Molecule

ID:30933

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₂N₄O
Molecular Mass
204.22848
Exact Mass
204.10111102
Charge
0
InChI
InChI=1S/C10H12N4O/c11-9-3-1-8(2-4-9)10(15)5-14-7-12-6-13-14/h1-4,6-7,10,15H,5,11H2
InChIKey
VVKAQWGFBVTPAR-UHFFFAOYSA-N
Canonic Smiles
OC(c1ccc(cc1)N)Cn1ncnc1
Isomeric Smiles
n1cnn(c1)CC(c1ccc(N)cc1)O
Calculated Properties
JChem
Acid pKa
14.055302
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-0.03671653
LogD (pH = 7.4)
-0.020413471
Log P
-0.020201547
Molar Refractivity
69.411
Polarizability
21.217241
Polar Surface Area
76.96
Rotatable Bonds
3
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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