Molecule

ID:29686

General Information
Structure
Molecular Formula
C₁₁H₂₁NO₂
Molecular Mass
199.28994
Exact Mass
199.15722892
Charge
0
InChI
InChI=1S/C11H21NO2/c1-11(2,3)14-10(13)8-5-4-6-9(12)7-8/h8-9H,4-7,12H2,1-3H3
InChIKey
MDFWHHAKFURWJC-UHFFFAOYSA-N
Canonic Smiles
NC1CCCC(C1)C(=O)OC(C)(C)C
Isomeric Smiles
C1(CC(CCC1)N)C(=O)OC(C)(C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.4312509
LogD (pH = 7.4)
-1.1349506
Log P
1.5964099
Molar Refractivity
55.7476
Polarizability
22.55125
Polar Surface Area
52.32
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
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References
Bioactivity
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