Molecule

ID:109467

General Information
Structure
MolImage
Molecular Formula
C₁₃H₂₃N₃O
Molecular Mass
237.34122
Exact Mass
237.18411237
Charge
0
InChI
InChI=1S/C13H23N3O/c1-2-16-8-9-17-13(10-16)15-11-14-12-6-4-3-5-7-12/h12-13H,2-10H2,1H3
InChIKey
RWQVFKTZTJCTCM-UHFFFAOYSA-N
Canonic Smiles
CCN1CCOC(C1)N=C=NC1CCCCC1
Isomeric Smiles
CCN1CCOC(C1)N=C=NC1CCCCC1
Calculated Properties
JChem
Acid pKa
18.430458
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
1.7874887
LogD (pH = 7.4)
2.4550917
Log P
2.4758186
Molar Refractivity
67.886
Polarizability
26.58122
Polar Surface Area
37.19
Rotatable Bonds
3
Lipinski's Rule of Five
true
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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