Molecule

ID:19462

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₁NO
Molecular Mass
219.32264
Exact Mass
219.1623143
Charge
0
InChI
InChI=1S/C14H21NO/c1-11-7-8-14(16-2)12(10-11)13-6-4-3-5-9-15-13/h7-8,10,13,15H,3-6,9H2,1-2H3
InChIKey
BCCPTHINAVILIQ-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1C1CCCCCN1)C
Isomeric Smiles
C1C(NCCCC1)c1cc(ccc1OC)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.07734685
LogD (pH = 7.4)
1.2134072
Log P
3.2420466
Molar Refractivity
67.2236
Polarizability
26.47797
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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