Molecule

ID:58753

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₃N₃
Molecular Mass
187.24102
Exact Mass
187.11094743
Charge
0
InChI
InChI=1S/C11H13N3/c12-8-10-4-1-2-5-11(10)9-14-7-3-6-13-14/h1-7H,8-9,12H2
InChIKey
QFYIZKYKKIPFMG-UHFFFAOYSA-N
Canonic Smiles
NCc1ccccc1Cn1cccn1
Isomeric Smiles
n1cccn1Cc1ccccc1CN
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.731115
LogD (pH = 7.4)
-0.7498426
Log P
1.2513474
Molar Refractivity
68.0474
Polarizability
21.868452
Polar Surface Area
43.84
Rotatable Bonds
3
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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