Molecule

ID:21122

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₁NO
Molecular Mass
219.32264
Exact Mass
219.1623143
Charge
0
InChI
InChI=1S/C14H21NO/c1-12-5-4-7-14(11-12)16-10-8-13-6-2-3-9-15-13/h4-5,7,11,13,15H,2-3,6,8-10H2,1H3
InChIKey
SXHLAPAHITZCGJ-UHFFFAOYSA-N
Canonic Smiles
Cc1cccc(c1)OCCC1CCCCN1
Isomeric Smiles
N1C(CCOc2cc(ccc2)C)CCCC1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.29084927
LogD (pH = 7.4)
0.30205327
Log P
2.9346855
Molar Refractivity
66.9644
Polarizability
26.483717
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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