Molecule

ID:62036

General Information
Structure
Molecular Formula
C₁₁H₂₀N₂O
Molecular Mass
196.2893
Exact Mass
196.15756327
Charge
0
InChI
InChI=1S/C11H20N2O/c1-9(14)13-8-4-2-3-5-10-11(13)6-7-12-10/h10-12H,2-8H2,1H3/t10-,11+/m1/s1
InChIKey
FMJJMDDBIXUZQM-MNOVXSKESA-N
Canonic Smiles
CC(=O)N1CCCCC[C@@H]2[C@@H]1CCN2
Isomeric Smiles
N1([C@@H]2[C@H](NCC2)CCCCC1)C(=O)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.8810403
LogD (pH = 7.4)
-2.5861523
Log P
0.35556412
Molar Refractivity
55.9635
Polarizability
22.265976
Polar Surface Area
32.34
Rotatable Bonds
0
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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