Molecule

ID:127948

General Information
Structure
MolImage
Molecular Formula
C₂₅H₂₅NO₂
Molecular Mass
371.4715
Exact Mass
371.18852905
Charge
0
InChI
InChI=1S/C25H25NO2/c1-3-4-7-15-26-17-23(20-10-5-6-12-24(20)26)25(27)21-11-8-9-18-13-14-19(28-2)16-22(18)21/h5-6,8-14,16-17H,3-4,7,15H2,1-2H3
InChIKey
IJNSZBAEVYRFCH-UHFFFAOYSA-N
Canonic Smiles
CCCCCn1cc(c2c1cccc2)C(=O)c1cccc2c1cc(OC)cc2
Isomeric Smiles
CCCCCn1cc(c2c1cccc2)C(=O)c1cccc2ccc(cc12)OC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
6.35531
LogD (pH = 7.4)
6.35531
Log P
6.35531
Molar Refractivity
114.0047
Polarizability
46.51006
Polar Surface Area
31.23
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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