Molecule

ID:499

General Information
Structure
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Molecular Formula
C₇H₁₁NO₃
Molecular Mass
157.16714
Exact Mass
157.07389322
Charge
0
InChI
InChI=1S/C7H11NO3/c1-4-7(2)5(9)8(3)6(10)11-7/h4H2,1-3H3
InChIKey
VQASKUSHBVDKGU-UHFFFAOYSA-N
Canonic Smiles
CCC1(C)OC(=O)N(C1=O)C
Isomeric Smiles
O1C(CC)(C(=O)N(C1=O)C)C
Calculated Properties
Provided by Enamine
CLogP
0.41
H Donor
0
Polar Surface Area
46.61
Rotatable Bonds
1
JChem
Polar Surface Area
46.61
H Donor
0
H Acceptors
2
Rotatable Bonds
1
Lipinski's Rule of Five
true
Log P
1.03
LogD (pH = 5.5)
1.03
LogD (pH = 7.4)
1.03
Molar Refractivity
37.72
Polarizability
14.96
LOG S
-1.52
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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