Molecule

ID:8092

General Information
Structure
MolImage
Molecular Formula
C₉H₁₆N₂
Molecular Mass
152.23674
Exact Mass
152.13134852
Charge
0
InChI
InChI=1S/C9H16N2/c10-7-4-8-11-9-5-2-1-3-6-9/h9,11H,1-6,8H2
InChIKey
OLUJYRYCQHJDKJ-UHFFFAOYSA-N
Canonic Smiles
N#CCCNC1CCCCC1
Isomeric Smiles
C1CC(CCC1)NCCC#N
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.3472985
LogD (pH = 7.4)
0.35488057
Log P
1.379337
Molar Refractivity
45.4709
Polarizability
17.949629
Polar Surface Area
35.82
Rotatable Bonds
3
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
References
Bioactivity
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