Molecule

ID:75898

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₁N₃
Molecular Mass
173.21444
Exact Mass
173.09529737
Charge
0
InChI
InChI=1S/C10H11N3/c1-8-12-5-6-13(8)10-4-2-3-9(11)7-10/h2-7H,11H2,1H3
InChIKey
ZDHNDCMKVXWWLA-UHFFFAOYSA-N
Canonic Smiles
Nc1cccc(c1)n1ccnc1C
Isomeric Smiles
Nc1cccc(c1)n1ccnc1C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.40257415
LogD (pH = 7.4)
0.61983097
Log P
0.7605
Molar Refractivity
63.1475
Polarizability
20.337078
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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