Molecule

ID:24930

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₁N₃
Molecular Mass
173.21444
Exact Mass
173.09529737
Charge
0
InChI
InChI=1S/C10H11N3/c11-10-6-12-13(8-10)7-9-4-2-1-3-5-9/h1-6,8H,7,11H2
InChIKey
HKIIDGKOOZXNQC-UHFFFAOYSA-N
Canonic Smiles
Nc1cnn(c1)Cc1ccccc1
Isomeric Smiles
n1(ncc(c1)N)Cc1ccccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.2966175
LogD (pH = 7.4)
1.2966526
Log P
1.296653
Molar Refractivity
64.2744
Polarizability
19.629404
Polar Surface Area
43.84
Rotatable Bonds
2
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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