Molecule

ID:33624

General Information
Structure
MolImage
Molecular Formula
C₉H₁₆N₂
Molecular Mass
152.23674
Exact Mass
152.13134852
Charge
0
InChI
InChI=1S/C9H16N2/c1-11(2)9(8-10)6-4-3-5-7-9/h3-7H2,1-2H3
InChIKey
SDHHZJUUIBWPPN-UHFFFAOYSA-N
Canonic Smiles
CN(C1(CCCCC1)C#N)C
Isomeric Smiles
N#CC1(N(C)C)CCCCC1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.7923215
LogD (pH = 7.4)
1.7110211
Log P
1.7535193
Molar Refractivity
46.106
Polarizability
17.949629
Polar Surface Area
27.03
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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