Molecule

ID:592

General Information
Structure
MolImage
Molecular Formula
C₁₀H₂₁N₃O
Molecular Mass
199.29324
Exact Mass
199.16846231
Charge
0
InChI
InChI=1S/C10H21N3O/c1-4-12(5-2)10(14)13-8-6-11(3)7-9-13/h4-9H2,1-3H3
InChIKey
RCKMWOKWVGPNJF-UHFFFAOYSA-N
Canonic Smiles
CCN(C(=O)N1CCN(CC1)C)CC
Isomeric Smiles
O=C(N1CCN(CC1)C)N(CC)CC
Calculated Properties
Provided by Enamine
CLogP
1.62
H Donor
0
Polar Surface Area
26.79
Rotatable Bonds
2
JChem
Polar Surface Area
26.79
H Donor
0
H Acceptors
2
Rotatable Bonds
2
Lipinski's Rule of Five
true
Log P
0.09
LogD (pH = 5.5)
-1.32
LogD (pH = 7.4)
-0.03
Molar Refractivity
58.28
Polarizability
22.29
LOG S
-0.35
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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