Molecule
ID:121900
General Information
Molecular Formula
C₁₂H₂₀N₂O
Molecular Mass
208.3
Exact Mass
208.15756327
Charge
0
InChI
InChI=1S/C12H20N2O/c1-3-11-5-13-7-12(4-2,10(11)15)8-14(6-11)9-13/h3-9H2,1-2H3/t11-,12?
InChIKey
YFJQQYQDMCFNRF-PKSXOLNLSA-N
Canonic Smiles
CCC12CN3CN(C1)C[C@](C2=O)(C3)CC
Isomeric Smiles
[C@@]12(C(=O)C3(CN(C2)CN(C1)C3)CC)CC
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
0.72074145
LogD (pH = 7.4)
1.7991747
Log P
1.8646286
Molar Refractivity
59.6719
Polarizability
23.770414
Polar Surface Area
23.55
Rotatable Bonds
2
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
No Data Available
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Related Proteins
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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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