Molecule

ID:54765

General Information
Structure
MolImage
Molecular Formula
C₁₂H₂₄N₂O
Molecular Mass
212.33176
Exact Mass
212.1888634
Charge
0
InChI
InChI=1S/C12H24N2O/c15-9-6-12-10-13-7-8-14(12)11-4-2-1-3-5-11/h11-13,15H,1-10H2
InChIKey
KXGXHRWDZAWKPR-UHFFFAOYSA-N
Canonic Smiles
OCCC1CNCCN1C1CCCCC1
Isomeric Smiles
C1NCCN(C1CCO)C1CCCCC1
Calculated Properties
JChem
Acid pKa
15.92176
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-2.5698721
LogD (pH = 7.4)
-1.7564975
Log P
0.88313645
Molar Refractivity
62.5856
Polarizability
25.049826
Polar Surface Area
35.5
Rotatable Bonds
3
Lipinski's Rule of Five
true
Provided by Chembridge
H Acceptors
3
H Donor
2
Log P
1.36
LOG S
-0.9
Polar Surface Area
35.5
Rotatable Bonds
3
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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