Molecule

ID:30357

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₇N₃
Molecular Mass
215.29418
Exact Mass
215.14224756
Charge
0
InChI
InChI=1S/C13H17N3/c1-16-12-5-3-2-4-11(12)15-13(16)10-6-8-14-9-7-10/h2-5,10,14H,6-9H2,1H3
InChIKey
FIOADLMZXISFAG-UHFFFAOYSA-N
Canonic Smiles
Cn1c(nc2c1cccc2)C1CCNCC1
Isomeric Smiles
c1(nc2c(n1C)cccc2)C1CCNCC1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.8582822
LogD (pH = 7.4)
-0.83363646
Log P
1.7098227
Molar Refractivity
64.7375
Polarizability
26.384487
Polar Surface Area
29.85
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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