Molecule

ID:85146

General Information
Structure
MolImage
Molecular Formula
C₆H₁₄N₂O₂
Molecular Mass
146.18756
Exact Mass
146.1055277
Charge
0
InChI
InChI=1S/C6H14N2O2/c9-7-5-3-1-2-4-6(5)8-10/h5-10H,1-4H2/t5-,6+
InChIKey
CALCNVTWOXTNMF-OLQVQODUSA-N
Canonic Smiles
ON[C@@H]1CCCC[C@@H]1NO
Isomeric Smiles
N([C@@H]1[C@H](NO)CCCC1)O
Calculated Properties
JChem
Acid pKa
15.3320265
H Acceptors
4
H Donor
4
LogD (pH = 5.5)
0.1842742
LogD (pH = 7.4)
0.20897914
Log P
0.20930336
Molar Refractivity
58.4668
Polarizability
15.365045
Polar Surface Area
64.52
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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