Molecule
ID:21477
General Information
Molecular Formula
C₁₃H₂₀N₂O
Molecular Mass
220.3107
Exact Mass
220.15756327
Charge
0
InChI
InChI=1S/C13H20N2O/c1-3-9-15(10-4-2)13(16)11-5-7-12(14)8-6-11/h5-8H,3-4,9-10,14H2,1-2H3
InChIKey
YZZJRTKRDSVWQU-UHFFFAOYSA-N
Canonic Smiles
CCCN(C(=O)c1ccc(cc1)N)CCC
Isomeric Smiles
C(=O)(c1ccc(N)cc1)N(CCC)CCC
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.1968594
LogD (pH = 7.4)
2.200921
Log P
2.200973
Molar Refractivity
68.1754
Polarizability
25.349123
Polar Surface Area
46.33
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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