Molecule

ID:30826

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₃N₃
Molecular Mass
187.24102
Exact Mass
187.11094743
Charge
0
InChI
InChI=1S/C11H13N3/c1-9-13-6-7-14(9)8-10-2-4-11(12)5-3-10/h2-7H,8,12H2,1H3
InChIKey
KWSBIEFIWQOXTF-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc(cc1)Cn1ccnc1C
Isomeric Smiles
n1(c(ncc1)C)Cc1ccc(N)cc1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.029330794
LogD (pH = 7.4)
0.8656505
Log P
1.0970638
Molar Refractivity
57.6632
Polarizability
21.40481
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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