Molecule

ID:110464

General Information
Structure
MolImage
Molecular Formula
C₁₂H₂₄N₂O₂
Molecular Mass
228.33116
Exact Mass
228.18377802
Charge
0
InChI
InChI=1S/C12H23N.HNO2/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;2-1-3/h11-13H,1-10H2;(H,2,3)
InChIKey
ZFAKTZXUUNBLEB-UHFFFAOYSA-N
Canonic Smiles
C1CCC(CC1)NC1CCCCC1.ON=O
Isomeric Smiles
ON=O.C1CCC(CC1)NC1CCCCC1
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
0.16547571
LogD (pH = 7.4)
0.28951243
Log P
3.4056625
Molar Refractivity
56.7218
Polarizability
22.937813
Polar Surface Area
12.03
Rotatable Bonds
2
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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