Molecule

ID:136240

General Information
Structure
Molecular Formula
C₁₄H₂₆N₂O₂
Molecular Mass
254.36844
Exact Mass
254.19942808
Charge
0
InChI
InChI=1S/2C7H13NO/c2*1-5(2)3-6-7(4-9)8-6/h2*4-8H,3H2,1-2H3/t2*6-,7-/m11/s1
InChIKey
XHNOHJNULVCNET-TYYTWWOLSA-N
Canonic Smiles
O=C[C@H]1N[C@@H]1CC(C)C.O=C[C@H]1N[C@@H]1CC(C)C
Isomeric Smiles
CC(C)C[C@@H]1[C@H](N1)C=O.CC(C)C[C@@H]1[C@H](N1)C=O
Calculated Properties
JChem
Acid pKa
16.063614
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.4273018
LogD (pH = 7.4)
0.82908505
Log P
0.8376051
Molar Refractivity
35.7213
Polarizability
14.49175
Polar Surface Area
39.01
Rotatable Bonds
6
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
No Data Available
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Molecule Details
References
Bioactivity
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