Molecule

ID:122635

General Information
Structure
MolImage
Molecular Formula
C₁₂H₂₀N₂O
Molecular Mass
208.3
Exact Mass
208.15756327
Charge
0
InChI
InChI=1S/C12H20N2O/c1-10-8-12(9-15)11(2)14(10)7-5-6-13(3)4/h8-9H,5-7H2,1-4H3
InChIKey
DIJGFGPWSCMCCL-UHFFFAOYSA-N
Canonic Smiles
O=Cc1cc(n(c1C)CCCN(C)C)C
Isomeric Smiles
n1(c(c(cc1C)C=O)C)CCCN(C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
-1.7138627
LogD (pH = 7.4)
-0.10271872
Log P
1.4670353
Molar Refractivity
65.4814
Polarizability
24.11633
Polar Surface Area
25.24
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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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