Molecule

ID:63789

General Information
Structure
MolImage
Molecular Formula
C₁₂H₂₀N₂O₃
Molecular Mass
240.2988
Exact Mass
240.14739251
Charge
0
InChI
InChI=1S/C12H20N2O3/c1-11(2,3)17-10(16)14-8-4-5-12(14)6-7-13-9(12)15/h4-8H2,1-3H3,(H,13,15)
InChIKey
JXDVMKQFPSVLBZ-UHFFFAOYSA-N
Canonic Smiles
O=C(N1CCCC21CCNC2=O)OC(C)(C)C
Isomeric Smiles
N1(C(=O)OC(C)(C)C)C2(C(=O)NCC2)CCC1
Calculated Properties
JChem
Acid pKa
14.203614
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.56717783
LogD (pH = 7.4)
0.5671778
Log P
0.56717783
Molar Refractivity
62.6394
Polarizability
24.534912
Polar Surface Area
58.64
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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