Molecule
ID:124618
General Information
Molecular Formula
C₁₃H₁₆N₂O
Molecular Mass
216.27894
Exact Mass
216.12626314
Charge
0
InChI
InChI=1S/C13H16N2O/c16-12-10-6-2-3-7-11(10)14-13(15-12)8-4-1-5-9-13/h2-3,6-7,14H,1,4-5,8-9H2,(H,15,16)
InChIKey
LUDINISIACCKKZ-UHFFFAOYSA-N
Canonic Smiles
O=C1NC2(CCCCC2)Nc2c1cccc2
Isomeric Smiles
C1(=O)NC2(Nc3c1cccc3)CCCCC2
Calculated Properties
JChem
Acid pKa
13.35188
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
2.8411007
LogD (pH = 7.4)
2.8411005
Log P
2.841101
Molar Refractivity
64.6679
Polarizability
23.88914
Polar Surface Area
41.13
Rotatable Bonds
0
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
No Data Available
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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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