Molecule

ID:121074

General Information
Structure
MolImage
Molecular Formula
C₁₀H₂₁N₃O
Molecular Mass
199.29324
Exact Mass
199.16846231
Charge
0
InChI
InChI=1S/C10H21N3O/c1-9(2)12-10(14)8-13-6-3-4-11-5-7-13/h9,11H,3-8H2,1-2H3,(H,12,14)
InChIKey
WCQJHHOKHWCKAO-UHFFFAOYSA-N
Canonic Smiles
CC(NC(=O)CN1CCNCCC1)C
Isomeric Smiles
C(=O)(NC(C)C)CN1CCCNCC1
Calculated Properties
JChem
Acid pKa
15.974839
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-4.344511
LogD (pH = 7.4)
-2.8968525
Log P
-0.6176994
Molar Refractivity
57.5798
Polarizability
22.680025
Polar Surface Area
44.37
Rotatable Bonds
3
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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