Molecule

ID:75868

General Information
Structure
MolImage
Molecular Formula
C₁₂H₂₀N₂O
Molecular Mass
208.3
Exact Mass
208.15756327
Charge
0
InChI
InChI=1S/C12H20N2O/c1-14(2)7-4-8-15-12-6-3-5-11(9-12)10-13/h3,5-6,9H,4,7-8,10,13H2,1-2H3
InChIKey
VRMIFLYRNDVHIN-UHFFFAOYSA-N
Canonic Smiles
NCc1cccc(c1)OCCCN(C)C
Isomeric Smiles
O(c1cc(ccc1)CN)CCCN(C)C
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-5.27025
LogD (pH = 7.4)
-2.820195
Log P
1.0199473
Molar Refractivity
63.8791
Polarizability
25.125998
Polar Surface Area
38.49
Rotatable Bonds
6
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
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References
Bioactivity
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