Molecule

ID:21580

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₈N₂O₃
Molecular Mass
214.26152
Exact Mass
214.13174245
Charge
0
InChI
InChI=1S/C10H18N2O3/c1-2-3-6-15-9(13)7-8-10(14)12-5-4-11-8/h8,11H,2-7H2,1H3,(H,12,14)
InChIKey
PMBWQDCICUWYHX-UHFFFAOYSA-N
Canonic Smiles
CCCCOC(=O)CC1NCCNC1=O
Isomeric Smiles
C1(=O)C(CC(=O)OCCCC)NCCN1
Calculated Properties
JChem
Acid pKa
14.232625
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-0.7729099
LogD (pH = 7.4)
-0.0943894
Log P
-0.07294125
Molar Refractivity
54.6999
Polarizability
21.962282
Polar Surface Area
67.43
Rotatable Bonds
6
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
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Molecule Details
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References
Bioactivity
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