Molecule

ID:118766

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₃N₃
Molecular Mass
187.24102
Exact Mass
187.11094743
Charge
0
InChI
InChI=1S/C11H13N3/c12-7-10-1-3-11(4-2-10)8-14-6-5-13-9-14/h1-6,9H,7-8,12H2
InChIKey
UVIGZMZSEKYQAZ-UHFFFAOYSA-N
Canonic Smiles
NCc1ccc(cc1)Cn1cncc1
Isomeric Smiles
n1cn(cc1)Cc1ccc(cc1)CN
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.5893075
LogD (pH = 7.4)
-1.2076758
Log P
0.9286934
Molar Refractivity
56.9955
Polarizability
21.875534
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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