Molecule

ID:69715

General Information
Structure
Molecular Formula
C₁₁H₁₉NO₂
Molecular Mass
197.27406
Exact Mass
197.14157885
Charge
0
InChI
InChI=1S/C11H19NO2/c13-11(14)10-6-9(7-12-10)8-4-2-1-3-5-8/h8-10,12H,1-7H2,(H,13,14)/t9-,10+/m1/s1
InChIKey
XRZWVSXEDRYQGC-ZJUUUORDSA-N
Canonic Smiles
OC(=O)[C@H]1NC[C@@H](C1)C1CCCCC1
Isomeric Smiles
C(=O)([C@H]1NC[C@@H](C1)C1CCCCC1)O
Calculated Properties
JChem
Acid pKa
2.2146025
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-0.6022594
LogD (pH = 7.4)
-0.602108
Log P
-0.6020914
Molar Refractivity
53.6863
Polarizability
21.574009
Polar Surface Area
49.33
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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