Molecule
ID:33365
General Information
Molecular Formula
C₈H₁₂N₂O₂
Molecular Mass
168.19308
Exact Mass
168.08987763
Charge
0
InChI
InChI=1S/C8H12N2O2/c1-3-12-8(11)7(2)10-6-4-5-9-10/h4-7H,3H2,1-2H3
InChIKey
VCDOPMNGJGSWFX-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)C(n1cccn1)C
Isomeric Smiles
n1(C(C(=O)OCC)C)nccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.9504528
LogD (pH = 7.4)
0.95055413
Log P
0.95055544
Molar Refractivity
55.0576
Polarizability
17.13501
Polar Surface Area
44.12
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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