Molecule

ID:112720

General Information
Structure
Molecular Formula
C₁₂H₂₂N₂O
Molecular Mass
210.31588
Exact Mass
210.17321333
Charge
0
InChI
InChI=1S/C12H22N2O/c15-12(11-7-3-1-4-8-11)13-14-9-5-2-6-10-14/h11H,1-10H2,(H,13,15)
InChIKey
BRWWNHOBSIVPQK-UHFFFAOYSA-N
Canonic Smiles
O=C(C1CCCCC1)NN1CCCCC1
Isomeric Smiles
O=C(NN1CCCCC1)C1CCCCC1
Calculated Properties
JChem
Acid pKa
12.835782
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.8021225
LogD (pH = 7.4)
1.8028636
Log P
1.8028744
Molar Refractivity
60.9035
Polarizability
24.00762
Polar Surface Area
32.34
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
References
Bioactivity
Navigation