Molecule

ID:31043

General Information
Structure
MolImage
Molecular Formula
C₉H₁₀N₄
Molecular Mass
174.2025
Exact Mass
174.09054634
Charge
0
InChI
InChI=1S/C9H10N4/c10-9-3-6-12-13(9)7-8-1-4-11-5-2-8/h1-6H,7,10H2
InChIKey
LSXHCDYKHFLGAE-UHFFFAOYSA-N
Canonic Smiles
Nc1ccnn1Cc1ccncc1
Isomeric Smiles
n1(c(ccn1)N)Cc1ccncc1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.0028090163
LogD (pH = 7.4)
0.16550273
Log P
0.16827162
Molar Refractivity
61.3708
Polarizability
18.723106
Polar Surface Area
56.73
Rotatable Bonds
2
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
References
Bioactivity
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