Molecule

ID:90195

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₉NO₂
Molecular Mass
185.26336
Exact Mass
185.14157885
Charge
0
InChI
InChI=1S/C10H19NO2/c1-8-6-5-7-11(8)9(12)13-10(2,3)4/h8H,5-7H2,1-4H3/t8-/m1/s1
InChIKey
PPUYUEPZGGATCN-MRVPVSSYSA-N
Canonic Smiles
C[C@@H]1CCCN1C(=O)OC(C)(C)C
Isomeric Smiles
N1(C(=O)OC(C)(C)C)CCC[C@H]1C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.9126871
LogD (pH = 7.4)
1.9126871
Log P
1.9126871
Molar Refractivity
51.6483
Polarizability
20.325129
Polar Surface Area
29.54
Rotatable Bonds
2
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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