Molecule

ID:88158

General Information
Structure
MolImage
Molecular Formula
C₁₁H₂₀N₂O₂
Molecular Mass
212.2887
Exact Mass
212.15247789
Charge
0
InChI
InChI=1S/C11H20N2O2/c1-5-14-9-7-12-11(15-6-2)10(13-9)8(3)4/h8,10H,5-7H2,1-4H3/t10-/m0/s1
InChIKey
HRAZLOIRFUQOPL-JTQLQIEISA-N
Canonic Smiles
CCOC1=N[C@H](C(=NC1)OCC)C(C)C
Isomeric Smiles
N1=C(CN=C([C@@H]1C(C)C)OCC)OCC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.7702788
LogD (pH = 7.4)
1.8234501
Log P
1.8241719
Molar Refractivity
59.1395
Polarizability
23.106379
Polar Surface Area
43.18
Rotatable Bonds
5
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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