Molecule

ID:37569

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₇NO₃
Molecular Mass
199.24688
Exact Mass
199.12084341
Charge
0
InChI
InChI=1S/C10H17NO3/c1-10(2,3)14-9(13)11-7-5-4-6-8(11)12/h4-7H2,1-3H3
InChIKey
ULMHMJAEGZPQRY-UHFFFAOYSA-N
Canonic Smiles
O=C1CCCCN1C(=O)OC(C)(C)C
Isomeric Smiles
C1CCCN(C1=O)C(=O)OC(C)(C)C
Calculated Properties
JChem
LogD (pH = 7.4)
1.53
LogD (pH = 5.5)
1.53
Log P
1.53
Rotatable Bonds
2
H Donor
0
H Acceptors
2
Lipinski's Rule of Five
true
Acid pKa
-8.12
Polar Surface Area
46.61
Polarizability
21.50
Molar Refractivity
51.85
LOG S
-1.66
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
References
Bioactivity
Navigation