Molecule

ID:20873

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₁NO
Molecular Mass
219.32264
Exact Mass
219.1623143
Charge
0
InChI
InChI=1S/C14H21NO/c1-11(2)12-5-3-6-13(9-12)16-14-7-4-8-15-10-14/h3,5-6,9,11,14-15H,4,7-8,10H2,1-2H3
InChIKey
BHBWHZTTYBNONX-UHFFFAOYSA-N
Canonic Smiles
CC(c1cccc(c1)OC1CCCNC1)C
Isomeric Smiles
c1(cc(OC2CNCCC2)ccc1)C(C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.0067363656
LogD (pH = 7.4)
1.1110607
Log P
3.1617448
Molar Refractivity
66.6476
Polarizability
26.481758
Polar Surface Area
21.26
Rotatable Bonds
3
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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