Molecule

ID:24786

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₅N₃
Molecular Mass
177.2462
Exact Mass
177.1265975
Charge
0
InChI
InChI=1S/C10H15N3/c1-3-11-4-2-10(1)9-13-7-5-12-6-8-13/h1-4,12H,5-9H2
InChIKey
XZYLSJPLCLKCMR-UHFFFAOYSA-N
Canonic Smiles
N1CCN(CC1)Cc1ccncc1
Isomeric Smiles
N1(Cc2ccncc2)CCNCC1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-3.0242574
LogD (pH = 7.4)
-1.675863
Log P
0.1610418
Molar Refractivity
53.1992
Polarizability
20.971119
Polar Surface Area
28.16
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
No Data Available
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Molecule Details
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References
Bioactivity
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