Molecule

ID:102705

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₈N₂O₃
Molecular Mass
214.26152
Exact Mass
214.13174245
Charge
0
InChI
InChI=1S/C10H18N2O3/c1-6(2)8(10(14)15)12-9(13)7-4-3-5-11-7/h6-8,11H,3-5H2,1-2H3,(H,12,13)(H,14,15)
InChIKey
AWJGUZSYVIVZGP-UHFFFAOYSA-N
Canonic Smiles
CC(C(C(=O)O)/N=C(/C1CCCN1)\O)C
Isomeric Smiles
CC(C)C(/N=C(\O)/C1CCCN1)C(=O)O
Calculated Properties
JChem
Acid pKa
4.1477695
H Acceptors
5
H Donor
3
LogD (pH = 5.5)
-1.8240393
LogD (pH = 7.4)
-3.5039225
Log P
-1.6037066
Molar Refractivity
54.879
Polarizability
21.67777
Polar Surface Area
81.92
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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