Molecule

ID:16775

General Information
Structure
MolImage
Molecular Formula
C₇H₁₀N₂O₄
Molecular Mass
186.1653
Exact Mass
186.06405681
Charge
0
InChI
InChI=1S/C7H10N2O4/c1-7(2)5(12)9(3-4(10)11)6(13)8-7/h3H2,1-2H3,(H,8,13)(H,10,11)
InChIKey
UEBZIQDINQDHFR-UHFFFAOYSA-N
Canonic Smiles
OC(=O)CN1C(=O)NC(C1=O)(C)C
Isomeric Smiles
N1(C(=O)NC(C1=O)(C)C)CC(=O)O
Calculated Properties
JChem
Acid pKa
3.6140356
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-2.6288478
LogD (pH = 7.4)
-4.0851617
Log P
-0.747031
Molar Refractivity
41.2346
Polarizability
16.063112
Polar Surface Area
86.71
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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