Molecule

ID:55974

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₁NO
Molecular Mass
219.32264
Exact Mass
219.1623143
Charge
0
InChI
InChI=1S/C14H21NO/c1-5-16-11-6-7-13-12(8-11)10(2)9-14(3,4)15-13/h6-8,10,15H,5,9H2,1-4H3
InChIKey
YLDDCEXDGNXCIO-UHFFFAOYSA-N
Canonic Smiles
CCOc1ccc2c(c1)C(C)CC(N2)(C)C
Isomeric Smiles
N1c2c(C(CC1(C)C)C)cc(cc2)OCC
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.6413789
LogD (pH = 7.4)
3.1031046
Log P
3.1137886
Molar Refractivity
68.9798
Polarizability
26.08195
Polar Surface Area
21.26
Rotatable Bonds
2
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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