Molecule

ID:73899

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₅N₃
Molecular Mass
201.2676
Exact Mass
201.1265975
Charge
0
InChI
InChI=1S/C12H15N3/c13-9-11-1-3-12(4-2-11)10-15-7-5-14-6-8-15/h1-4,14H,5-8,10H2
InChIKey
RPOOHOJBILYQET-UHFFFAOYSA-N
Canonic Smiles
N#Cc1ccc(cc1)CN1CCNCC1
Isomeric Smiles
N1(CCNCC1)Cc1ccc(cc1)C#N
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.9254664
LogD (pH = 7.4)
-0.59790665
Log P
1.2348105
Molar Refractivity
61.0777
Polarizability
23.70546
Polar Surface Area
39.06
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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