Molecule

ID:127949

General Information
Structure
MolImage
Molecular Formula
C₂₁H₂₃NO
Molecular Mass
305.41342
Exact Mass
305.17796436
Charge
0
InChI
InChI=1S/C21H23NO/c1-2-3-9-14-22-16-19(18-12-7-8-13-20(18)22)21(23)15-17-10-5-4-6-11-17/h4-8,10-13,16H,2-3,9,14-15H2,1H3
InChIKey
AMCPOEOUXQWESI-UHFFFAOYSA-N
Canonic Smiles
CCCCCn1cc(c2c1cccc2)C(=O)Cc1ccccc1
Isomeric Smiles
CCCCCn1cc(c2c1cccc2)C(=O)Cc1ccccc1
Calculated Properties
JChem
Acid pKa
15.778126
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
5.456139
LogD (pH = 7.4)
5.456139
Log P
5.456139
Molar Refractivity
95.6405
Polarizability
38.113335
Polar Surface Area
22.0
Rotatable Bonds
7
Lipinski's Rule of Five
false
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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