Molecule

ID:21117

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₁NO
Molecular Mass
219.32264
Exact Mass
219.1623143
Charge
0
InChI
InChI=1S/C14H21NO/c1-2-6-13(7-3-1)12-16-11-9-14-8-4-5-10-15-14/h1-3,6-7,14-15H,4-5,8-12H2
InChIKey
HPQBCXGZMFRXMO-UHFFFAOYSA-N
Canonic Smiles
C1CCC(NC1)CCOCc1ccccc1
Isomeric Smiles
N1C(CCOCc2ccccc2)CCCC1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.77685267
LogD (pH = 7.4)
-0.31990296
Log P
2.4547122
Molar Refractivity
67.0271
Polarizability
26.574434
Polar Surface Area
21.26
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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