Molecule

ID:104231

General Information
Structure
MolImage
Molecular Formula
C₁₀H₂₁NO₂
Molecular Mass
187.27924
Exact Mass
187.15722892
Charge
0
InChI
InChI=1S/C10H21NO2/c1-7(2)6-8(11)9(12)13-10(3,4)5/h7-8H,6,11H2,1-5H3/t8-/m0/s1
InChIKey
HBEJJYHFTZDAHZ-QMMMGPOBSA-N
Canonic Smiles
CC(C[C@@H](C(=O)OC(C)(C)C)N)C
Isomeric Smiles
CC(C)C[C@H](N)C(=O)OC(C)(C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.009986944
LogD (pH = 7.4)
1.5796559
Log P
1.8752526
Molar Refractivity
52.7456
Polarizability
21.43788
Polar Surface Area
52.32
Rotatable Bonds
5
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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