Molecule

ID:18771

General Information
Structure
MolImage
Molecular Formula
C₉H₁₀N₄
Molecular Mass
174.2025
Exact Mass
174.09054634
Charge
0
InChI
InChI=1S/C9H10N4/c1-7-6-8(10)13(12-7)9-4-2-3-5-11-9/h2-6H,10H2,1H3
InChIKey
BDTNHFVPZQIZFD-UHFFFAOYSA-N
Canonic Smiles
Cc1nn(c(c1)N)c1ccccn1
Isomeric Smiles
n1(c(cc(n1)C)N)c1ncccc1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.81994987
LogD (pH = 7.4)
0.8274877
Log P
0.8275846
Molar Refractivity
51.1215
Polarizability
18.7329
Polar Surface Area
56.73
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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