Molecule
ID:122515
General Information
Molecular Formula
C₁₁H₂₂N₂O
Molecular Mass
198.30518
Exact Mass
198.17321333
Charge
0
InChI
InChI=1S/C11H22N2O/c1-3-10-5-12-7-11(4-2,9(10)14)8-13-6-10/h9,12-14H,3-8H2,1-2H3
InChIKey
VYLZRXZRIFYRDM-UHFFFAOYSA-N
Canonic Smiles
CCC12CNCC(C2O)(CNC1)CC
Isomeric Smiles
C12(C(C(CNC2)(CNC1)CC)O)CC
Calculated Properties
JChem
Acid pKa
14.155882
H Acceptors
3
H Donor
3
LogD (pH = 5.5)
-5.1301465
LogD (pH = 7.4)
-2.779577
Log P
0.24040209
Molar Refractivity
56.8585
Polarizability
23.206133
Polar Surface Area
44.29
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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