Molecule
ID:66711
General Information
Molecular Formula
C₆H₁₀N₂O₃
Molecular Mass
158.1552
Exact Mass
158.06914219
Charge
0
InChI
InChI=1S/C6H10N2O3/c9-5-3-7-1-2-8(5)4-6(10)11/h7H,1-4H2,(H,10,11)
InChIKey
VYKYEBFQKSINNA-UHFFFAOYSA-N
Canonic Smiles
OC(=O)CN1CCNCC1=O
Isomeric Smiles
N1(C(=O)CNCC1)CC(=O)O
Calculated Properties
JChem
Acid pKa
3.547461
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-4.216003
LogD (pH = 7.4)
-4.63763
Log P
-4.2171426
Molar Refractivity
36.5092
Polarizability
14.432061
Polar Surface Area
69.64
Rotatable Bonds
2
Lipinski's Rule of Five
true
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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