Molecule

ID:37578

General Information
Structure
MolImage
Molecular Formula
C₈H₁₈N₂O
Molecular Mass
158.24132
Exact Mass
158.14191321
Charge
0
InChI
InChI=1S/C8H18N2O/c1-5-7(2)10-8(3,4)6-9-11/h6-7,10-11H,5H2,1-4H3/b9-6+
InChIKey
BZCFKVJWQYCRTK-RMKNXTFCSA-N
Canonic Smiles
CCC(NC(/C=N/O)(C)C)C
Isomeric Smiles
C(=N\O)/C(C)(C)NC(C)CC
Calculated Properties
JChem
Acid pKa
8.720681
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-1.6229773
LogD (pH = 7.4)
-0.19076277
Log P
0.93785286
Molar Refractivity
46.5729
Polarizability
18.409801
Polar Surface Area
44.62
Rotatable Bonds
4
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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