Molecule

ID:20745

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₁NO
Molecular Mass
219.32264
Exact Mass
219.1623143
Charge
0
InChI
InChI=1S/C14H21NO/c1-12-4-2-3-5-14(12)11-16-10-13-6-8-15-9-7-13/h2-5,13,15H,6-11H2,1H3
InChIKey
FYPONOOWSFBBGK-UHFFFAOYSA-N
Canonic Smiles
Cc1ccccc1COCC1CCNCC1
Isomeric Smiles
N1CCC(COCc2c(C)cccc2)CC1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.76461864
LogD (pH = 7.4)
-0.30386397
Log P
2.4668028
Molar Refractivity
67.6407
Polarizability
26.494701
Polar Surface Area
21.26
Rotatable Bonds
4
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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