Molecule

ID:77719

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₀N₂O₂
Molecular Mass
248.3208
Exact Mass
248.15247789
Charge
0
InChI
InChI=1S/C14H20N2O2/c1-8-10(15)6-9-11(12(8)16(17)18)14(4,5)7-13(9,2)3/h6H,7,15H2,1-5H3
InChIKey
GNEPLYVYORHREW-UHFFFAOYSA-N
Canonic Smiles
[O-][N+](=O)c1c(C)c(N)cc2c1C(C)(C)CC2(C)C
Isomeric Smiles
Nc1c(c(c2c(c1)C(C)(C)CC2(C)C)[N+](=O)[O-])C
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
3.7782586
LogD (pH = 7.4)
3.7795272
Log P
3.7795434
Molar Refractivity
74.0529
Polarizability
27.095648
Polar Surface Area
71.84
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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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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