Molecule

ID:23370

General Information
Structure
MolImage
Molecular Formula
C₁₃H₂₀N₂O
Molecular Mass
220.3107
Exact Mass
220.15756327
Charge
0
InChI
InChI=1S/C13H20N2O/c1-3-8-15(9-4-2)13(16)11-6-5-7-12(14)10-11/h5-7,10H,3-4,8-9,14H2,1-2H3
InChIKey
PNWNMGKRCWKXDR-UHFFFAOYSA-N
Canonic Smiles
CCCN(C(=O)c1cccc(c1)N)CCC
Isomeric Smiles
C(=O)(c1cc(N)ccc1)N(CCC)CCC
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.1979284
LogD (pH = 7.4)
2.2009344
Log P
2.200973
Molar Refractivity
68.1754
Polarizability
25.349974
Polar Surface Area
46.33
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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