Molecule

ID:125855

General Information
Structure
MolImage
Molecular Formula
C₁₆H₂₃NO
Molecular Mass
245.35992
Exact Mass
245.17796436
Charge
0
InChI
InChI=1S/C16H23NO/c1-17-11-14-9-6-10-15(12-17)16(14,18-2)13-7-4-3-5-8-13/h3-5,7-8,14-15H,6,9-12H2,1-2H3
InChIKey
YFFNPIAPUDUYAU-UHFFFAOYSA-N
Canonic Smiles
COC1(C2CCCC1CN(C2)C)c1ccccc1
Isomeric Smiles
O(C1(c2ccccc2)C2CCCC1CN(C2)C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
-0.65183485
LogD (pH = 7.4)
0.61507183
Log P
2.7390873
Molar Refractivity
74.5974
Polarizability
29.52685
Polar Surface Area
12.47
Rotatable Bonds
2
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
References
Bioactivity
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