Molecule

ID:130340

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₄N₂O
Molecular Mass
248.36386
Exact Mass
248.1888634
Charge
0
InChI
InChI=1S/C15H24N2O/c1-6-17(7-2)10-14(18)16-15-12(4)8-11(3)9-13(15)5/h8-9H,6-7,10H2,1-5H3,(H,16,18)
InChIKey
GOZBHBFUQHMKQB-UHFFFAOYSA-N
Canonic Smiles
CCN(CC(=O)Nc1c(C)cc(cc1C)C)CC
Isomeric Smiles
CCN(CC)CC(=O)Nc1c(cc(cc1C)C)C
Calculated Properties
JChem
Acid pKa
14.146161
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.1045275
LogD (pH = 7.4)
2.8291805
Log P
3.3563347
Molar Refractivity
78.9708
Polarizability
29.407034
Polar Surface Area
32.34
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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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