Molecule

ID:61981

General Information
Structure
Molecular Formula
C₁₂H₂₂N₂O
Molecular Mass
210.31588
Exact Mass
210.17321333
Charge
0
InChI
InChI=1S/C12H22N2O/c1-10(15)14-9-5-3-4-6-11-12(14,2)7-8-13-11/h11,13H,3-9H2,1-2H3/t11-,12-/m0/s1
InChIKey
PTIPQOYSGXIGED-RYUDHWBXSA-N
Canonic Smiles
CC(=O)N1CCCCC[C@H]2[C@]1(C)CCN2
Isomeric Smiles
N1([C@@]2([C@@H](NCC2)CCCCC1)C)C(=O)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.6019971
LogD (pH = 7.4)
-2.3719852
Log P
0.63614076
Molar Refractivity
60.6017
Polarizability
24.10781
Polar Surface Area
32.34
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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