Molecule

ID:33812

General Information
Structure
MolImage
Molecular Formula
C₉H₁₆N₂
Molecular Mass
152.23674
Exact Mass
152.13134852
Charge
0
InChI
InChI=1S/C9H16N2/c1-9-3-7-11(8-4-9)6-2-5-10/h9H,2-4,6-8H2,1H3
InChIKey
KTIJMGLLLNVUDN-UHFFFAOYSA-N
Canonic Smiles
CC1CCN(CC1)CCC#N
Isomeric Smiles
N#CCCN1CCC(CC1)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
-0.8714153
LogD (pH = 7.4)
0.7576404
Log P
1.1004996
Molar Refractivity
46.442
Polarizability
17.949629
Polar Surface Area
27.03
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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