Molecule

ID:124903

General Information
Structure
MolImage
Molecular Formula
C₉H₁₆N₂
Molecular Mass
152.23674
Exact Mass
152.13134852
Charge
0
InChI
InChI=1S/C9H16N2/c1-8(2)11-6-4-5-9(11)7-10-3/h4-6,8,10H,7H2,1-3H3
InChIKey
VCWAXKSEVGVKJS-UHFFFAOYSA-N
Canonic Smiles
CNCc1cccn1C(C)C
Isomeric Smiles
n1(c(ccc1)CNC)C(C)C
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-1.5734427
LogD (pH = 7.4)
-0.22610669
Log P
1.528539
Molar Refractivity
48.0064
Polarizability
18.707947
Polar Surface Area
16.96
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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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