Molecule

ID:77305

General Information
Structure
MolImage
Molecular Formula
C₉H₁₅NO₃
Molecular Mass
185.2203
Exact Mass
185.10519335
Charge
0
InChI
InChI=1S/C9H15NO3/c1-4-8(11)10-7(6(2)3)5-13-9(10)12/h6-7H,4-5H2,1-3H3/t7-/m1/s1
InChIKey
HOWPHXVPNNPSAZ-SSDOTTSWSA-N
Canonic Smiles
CCC(=O)N1C(=O)OC[C@@H]1C(C)C
Isomeric Smiles
N1(C(=O)CC)[C@H](COC1=O)C(C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.6343683
LogD (pH = 7.4)
1.6343683
Log P
1.6343683
Molar Refractivity
46.6244
Polarizability
18.603695
Polar Surface Area
46.61
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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