Molecule

ID:75871

General Information
Structure
MolImage
Molecular Formula
C₁₂H₂₀N₂O
Molecular Mass
208.3
Exact Mass
208.15756327
Charge
0
InChI
InChI=1S/C12H20N2O/c1-14(2)8-5-9-15-12-7-4-3-6-11(12)10-13/h3-4,6-7H,5,8-10,13H2,1-2H3
InChIKey
CWYPVGNYPWEJLK-UHFFFAOYSA-N
Canonic Smiles
NCc1ccccc1OCCCN(C)C
Isomeric Smiles
O(c1c(cccc1)CN)CCCN(C)C
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-5.1850815
LogD (pH = 7.4)
-2.3912039
Log P
1.0199473
Molar Refractivity
63.8791
Polarizability
25.126211
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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