Molecule

ID:22785

General Information
Structure
MolImage
Molecular Formula
C₁₃H₂₀N₂O
Molecular Mass
220.3107
Exact Mass
220.15756327
Charge
0
InChI
InChI=1S/C13H20N2O/c1-3-4-5-6-13(16)15-12-9-11(14)8-7-10(12)2/h7-9H,3-6,14H2,1-2H3,(H,15,16)
InChIKey
YUSMQUNWYJRKOT-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(cc1NC(=O)CCCCC)N
Isomeric Smiles
c1(NC(=O)CCCCC)cc(N)ccc1C
Calculated Properties
JChem
Acid pKa
14.240613
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
2.8946216
LogD (pH = 7.4)
2.9292336
Log P
2.9296935
Molar Refractivity
69.0925
Polarizability
25.481009
Polar Surface Area
55.12
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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