Molecule

ID:58814

General Information
Structure
MolImage
Molecular Formula
C₇H₁₁NO₃
Molecular Mass
157.16714
Exact Mass
157.07389322
Charge
0
InChI
InChI=1S/C7H11NO3/c1-8-5(7(10)11-2)3-4-6(8)9/h5H,3-4H2,1-2H3
InChIKey
ABAOXDQXQHQRFA-UHFFFAOYSA-N
Canonic Smiles
CN1C(CCC1=O)C(=O)OC
Isomeric Smiles
N1(C(C(=O)OC)CCC1=O)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
-0.52009964
LogD (pH = 7.4)
-0.5200996
Log P
-0.5200996
Molar Refractivity
37.7536
Polarizability
14.95568
Polar Surface Area
46.61
Rotatable Bonds
2
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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