Molecule

ID:101273

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₇N₃
Molecular Mass
215.29418
Exact Mass
215.14224756
Charge
0
InChI
InChI=1S/C13H17N3/c1-15-5-7-16(8-6-15)11-13-4-2-3-12(9-13)10-14/h2-4,9H,5-8,11H2,1H3
InChIKey
NNYDAONDPGWBRI-UHFFFAOYSA-N
Canonic Smiles
N#Cc1cccc(c1)CN1CCN(CC1)C
Isomeric Smiles
N#Cc1cc(CN2CCN(CC2)C)ccc1
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
-0.99507785
LogD (pH = 7.4)
0.77913517
Log P
1.6178584
Molar Refractivity
66.3724
Polarizability
25.551483
Polar Surface Area
30.27
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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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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