Molecule

ID:51209

General Information
Structure
MolImage
Molecular Formula
C₉H₁₇NO₃
Molecular Mass
187.23618
Exact Mass
187.12084341
Charge
0
InChI
InChI=1S/C9H17NO3/c1-2-13-9(12)10-7-3-5-8(11)6-4-7/h7-8,11H,2-6H2,1H3,(H,10,12)/t7-,8-
InChIKey
LYNCTVPCPODSQZ-ZKCHVHJHSA-N
Canonic Smiles
CCOC(=O)N[C@@H]1CC[C@H](CC1)O
Isomeric Smiles
O(C(=O)N[C@@H]1CC[C@H](CC1)O)CC
Calculated Properties
JChem
Acid pKa
14.914677
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
0.5820388
LogD (pH = 7.4)
0.5820388
Log P
0.5820388
Molar Refractivity
48.4185
Polarizability
19.142935
Polar Surface Area
58.56
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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