Molecule

ID:115928

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₇N₃
Molecular Mass
215.29418
Exact Mass
215.14224756
Charge
0
InChI
InChI=1S/C13H17N3/c1-2-6-13-12(5-1)15-10-16(13)9-11-4-3-7-14-8-11/h1-2,5-6,10-11,14H,3-4,7-9H2
InChIKey
QGJUPDPLNVQXBL-UHFFFAOYSA-N
Canonic Smiles
C1CCC(CN1)Cn1cnc2c1cccc2
Isomeric Smiles
n1(cnc2c1cccc2)CC1CNCCC1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.9065952
LogD (pH = 7.4)
-1.1391833
Log P
1.6290957
Molar Refractivity
64.7408
Polarizability
26.468586
Polar Surface Area
29.85
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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