Molecule

ID:70921

General Information
Structure
MolImage
Molecular Formula
C₉H₁₆N₂O₂
Molecular Mass
184.23554
Exact Mass
184.12117776
Charge
0
InChI
InChI=1S/C9H16N2O2/c1-6(2)8-9(13-4)10-5-7(11-8)12-3/h6,8H,5H2,1-4H3/t8-/m0/s1
InChIKey
FCFWEOGTZZPCTO-QMMMGPOBSA-N
Canonic Smiles
COC1=N[C@H](C(=NC1)OC)C(C)C
Isomeric Smiles
[C@@H]1(C(=NCC(=N1)OC)OC)C(C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.0652707
LogD (pH = 7.4)
1.1099555
Log P
1.110556
Molar Refractivity
49.6423
Polarizability
19.43399
Polar Surface Area
43.18
Rotatable Bonds
3
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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