Molecule

ID:24450

General Information
Structure
MolImage
Molecular Formula
C₁₀H₂₀N₂O₂
Molecular Mass
200.278
Exact Mass
200.15247789
Charge
0
InChI
InChI=1S/C10H20N2O2/c1-2-12-10(13)5-6-11-8-9-4-3-7-14-9/h9,11H,2-8H2,1H3,(H,12,13)
InChIKey
HUKDLXQAWYVJEU-UHFFFAOYSA-N
Canonic Smiles
CCNC(=O)CCNCC1CCCO1
Isomeric Smiles
C(=O)(CCNCC1OCCC1)NCC
Calculated Properties
JChem
Acid pKa
16.120846
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-3.4126456
LogD (pH = 7.4)
-2.1335435
Log P
-0.285752
Molar Refractivity
55.1996
Polarizability
21.854008
Polar Surface Area
50.36
Rotatable Bonds
6
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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