Molecule

ID:33630

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₆N₂O
Molecular Mass
180.24684
Exact Mass
180.12626314
Charge
0
InChI
InChI=1S/C10H16N2O/c11-9-10(3-1-2-4-10)12-5-7-13-8-6-12/h1-8H2
InChIKey
FKGGDZUTOZLKTF-UHFFFAOYSA-N
Canonic Smiles
N#CC1(CCCC1)N1CCOCC1
Isomeric Smiles
N1(C2(C#N)CCCC2)CCOCC1
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.0398979
LogD (pH = 7.4)
1.0897758
Log P
1.0904502
Molar Refractivity
50.5795
Polarizability
19.753305
Polar Surface Area
36.26
Rotatable Bonds
1
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
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Molecule Details
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References
Bioactivity
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