Molecule

ID:118935

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₁NO
Molecular Mass
219.32264
Exact Mass
219.1623143
Charge
0
InChI
InChI=1S/C14H21NO/c1-14(2)10-13(8-9-16-14)15-11-12-6-4-3-5-7-12/h3-7,13,15H,8-11H2,1-2H3
InChIKey
MSWLMOCCTHCSBL-UHFFFAOYSA-N
Canonic Smiles
CC1(C)OCCC(C1)NCc1ccccc1
Isomeric Smiles
C1(OCCC(C1)NCc1ccccc1)(C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.0216899
LogD (pH = 7.4)
-0.22339445
Log P
2.1899323
Molar Refractivity
66.8385
Polarizability
26.5763
Polar Surface Area
21.26
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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