Molecule

ID:58087

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)10-5-3-4-8(6-10)7-11/h8,11H,2-7H2,1H3
InChIKey
NJAMSCPMLHBPSY-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)N1CCCC(C1)CO
Isomeric Smiles
N1(C(=O)OCC)CC(CO)CCC1
Calculated Properties
JChem
Acid pKa
15.43051
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.21337996
LogD (pH = 7.4)
0.21337996
Log P
0.21337996
Molar Refractivity
49.075
Polarizability
19.142935
Polar Surface Area
49.77
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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