Molecule

ID:24995

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₈N₂O₃
Molecular Mass
214.26152
Exact Mass
214.13174245
Charge
0
InChI
InChI=1S/C10H18N2O3/c1-5(2)6-10(3,4)7(8(13)14)12-9(15)11-6/h5-7H,1-4H3,(H,13,14)(H2,11,12,15)
InChIKey
HXNAXIYCAPYAGC-UHFFFAOYSA-N
Canonic Smiles
O=C1NC(C(C)C)C(C(N1)C(=O)O)(C)C
Isomeric Smiles
C1(C(NC(=O)NC1C(C)C)C(=O)O)(C)C
Calculated Properties
JChem
Acid pKa
4.1505594
H Acceptors
3
H Donor
3
LogD (pH = 5.5)
-0.427947
LogD (pH = 7.4)
-2.1288426
Log P
0.93763804
Molar Refractivity
53.836
Polarizability
21.348757
Polar Surface Area
78.43
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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