Molecule

ID:101414

General Information
Structure
MolImage
Molecular Formula
C₁₂H₂₀N₂O
Molecular Mass
208.3
Exact Mass
208.15756327
Charge
0
InChI
InChI=1S/C12H20N2O/c1-14(2)8-3-9-15-12-6-4-11(10-13)5-7-12/h4-7H,3,8-10,13H2,1-2H3
InChIKey
UGICLWAMZSRUPM-UHFFFAOYSA-N
Canonic Smiles
NCc1ccc(cc1)OCCCN(C)C
Isomeric Smiles
N(CCCOc1ccc(cc1)CN)(C)C
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-5.277864
LogD (pH = 7.4)
-2.8848107
Log P
1.0199473
Molar Refractivity
63.8791
Polarizability
25.125963
Polar Surface Area
38.49
Rotatable Bonds
6
Lipinski's Rule of Five
true
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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