Molecule
ID:122514
General Information
Molecular Formula
C₁₁H₂₀N₂O
Molecular Mass
196.2893
Exact Mass
196.15756327
Charge
0
InChI
InChI=1S/C11H20N2O/c1-3-10-5-12-7-11(4-2,9(10)14)8-13-6-10/h12-13H,3-8H2,1-2H3
InChIKey
RBFBTDVSTGPANP-UHFFFAOYSA-N
Canonic Smiles
CCC12CNCC(C2=O)(CNC1)CC
Isomeric Smiles
C1(=O)C2(CNCC1(CNC2)CC)CC
Calculated Properties
JChem
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-3.4159405
LogD (pH = 7.4)
-1.3615108
Log P
1.1599567
Molar Refractivity
56.242
Polarizability
22.658176
Polar Surface Area
41.13
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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