Molecule

ID:30265

General Information
Structure
MolImage
Molecular Formula
C₁₂H₂₀N₂O₄
Molecular Mass
256.2982
Exact Mass
256.14230713
Charge
0
InChI
InChI=1S/C12H20N2O4/c15-11-8-10(12(16)17)9-14(11)3-1-2-13-4-6-18-7-5-13/h10H,1-9H2,(H,16,17)
InChIKey
JKSUFEIQXUHPSY-UHFFFAOYSA-N
Canonic Smiles
OC(=O)C1CC(=O)N(C1)CCCN1CCOCC1
Isomeric Smiles
C1(C(=O)O)CN(C(=O)C1)CCCN1CCOCC1
Calculated Properties
JChem
Acid pKa
3.9584994
H Acceptors
5
H Donor
1
LogD (pH = 5.5)
-3.6659827
LogD (pH = 7.4)
-4.141199
Log P
-3.6783187
Molar Refractivity
65.1995
Polarizability
25.40109
Polar Surface Area
70.08
Rotatable Bonds
5
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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