Molecule

ID:19500

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₁NO
Molecular Mass
219.32264
Exact Mass
219.1623143
Charge
0
InChI
InChI=1S/C14H21NO/c15-13-8-4-5-9-14(13)16-11-10-12-6-2-1-3-7-12/h4-5,8-9,12H,1-3,6-7,10-11,15H2
InChIKey
GWINHTNYUQWVKG-UHFFFAOYSA-N
Canonic Smiles
Nc1ccccc1OCCC1CCCCC1
Isomeric Smiles
c1(c(OCCC2CCCCC2)cccc1)N
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
3.4282136
LogD (pH = 7.4)
3.4670286
Log P
3.4675467
Molar Refractivity
67.6446
Polarizability
26.166264
Polar Surface Area
35.25
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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