Molecule

ID:54078

General Information
Structure
MolImage
Molecular Formula
C₉H₁₇NO₃
Molecular Mass
187.23618
Exact Mass
187.12084341
Charge
0
InChI
InChI=1S/C9H17NO3/c1-9(12-4,13-5)8(11)6-7-10(2)3/h6-7H,1-5H3/b7-6+
InChIKey
OVRSIQWVIJSERH-VOTSOKGWSA-N
Canonic Smiles
COC(C(=O)/C=C/N(C)C)(OC)C
Isomeric Smiles
CC(C(=O)/C=C/N(C)C)(OC)OC
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
0.2939025
LogD (pH = 7.4)
1.0786282
Log P
1.1078299
Molar Refractivity
51.9535
Polarizability
19.680376
Polar Surface Area
38.77
Rotatable Bonds
5
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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