Molecule

ID:122238

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₃N₃
Molecular Mass
187.24102
Exact Mass
187.11094743
Charge
0
InChI
InChI=1S/C11H13N3/c1-9-4-2-3-5-10(9)7-14-8-11(12)6-13-14/h2-6,8H,7,12H2,1H3
InChIKey
WBQGANWPTDYTBU-UHFFFAOYSA-N
Canonic Smiles
Nc1cnn(c1)Cc1ccccc1C
Isomeric Smiles
n1(ncc(c1)N)Cc1c(C)cccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.8100389
LogD (pH = 7.4)
1.810074
Log P
1.8100744
Molar Refractivity
69.3156
Polarizability
21.39524
Polar Surface Area
43.84
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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