Molecule

ID:58507

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₁NO
Molecular Mass
219.32264
Exact Mass
219.1623143
Charge
0
InChI
InChI=1S/C14H21NO/c16-13-2-1-3-15(13)14-7-10-4-11(8-14)6-12(5-10)9-14/h10-12H,1-9H2
InChIKey
MLSPGERYUBJGGP-UHFFFAOYSA-N
Canonic Smiles
O=C1CCCN1C12CC3CC(C2)CC(C1)C3
Isomeric Smiles
C1CCC(=O)N1C12CC3CC(C1)CC(C3)C2
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.7354697
LogD (pH = 7.4)
1.7354732
Log P
1.7354732
Molar Refractivity
62.7714
Polarizability
24.806614
Polar Surface Area
20.31
Rotatable Bonds
1
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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