Molecule
ID:11532
General Information
Molecular Formula
C₆H₁₂N₂O₂
Molecular Mass
144.17168
Exact Mass
144.08987763
Charge
0
InChI
InChI=1S/C6H12N2O2/c9-6(10)5-8-3-1-7-2-4-8/h7H,1-5H2,(H,9,10)
InChIKey
WRJZKSHNBALIGH-UHFFFAOYSA-N
Canonic Smiles
OC(=O)CN1CCNCC1
Isomeric Smiles
N1(CC(=O)O)CCNCC1
Calculated Properties
JChem
Acid pKa
1.7532312
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-3.6962945
LogD (pH = 7.4)
-3.4880877
Log P
-3.4920206
Molar Refractivity
36.8281
Polarizability
14.650133
Polar Surface Area
52.57
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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