Molecule

ID:48338

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₅N₃
Molecular Mass
225.289
Exact Mass
225.1265975
Charge
0
InChI
InChI=1S/C14H15N3/c15-12-7-8-14(16-10-12)17-9-3-5-11-4-1-2-6-13(11)17/h1-2,4,6-8,10H,3,5,9,15H2
InChIKey
QPGPWDYYRQUBJT-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc(nc1)N1CCCc2c1cccc2
Isomeric Smiles
N1(c2ncc(N)cc2)c2c(CCC1)cccc2
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
2.3233376
LogD (pH = 7.4)
2.6622849
Log P
2.669164
Molar Refractivity
70.2085
Polarizability
26.030174
Polar Surface Area
42.15
Rotatable Bonds
1
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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