Molecule
ID:86282
General Information
Molecular Formula
C₂₅H₃₁NO₂
Molecular Mass
377.51914
Exact Mass
377.23547924
Charge
0
InChI
InChI=1S/C25H31NO2/c1-18(2)17-20-9-11-21(12-10-20)19(3)25(28)26-15-13-23(14-16-26)24(27)22-7-5-4-6-8-22/h4-12,18-19,23H,13-17H2,1-3H3
InChIKey
HVYDBQDVZRRCND-UHFFFAOYSA-N
Canonic Smiles
CC(Cc1ccc(cc1)C(C(=O)N1CCC(CC1)C(=O)c1ccccc1)C)C
Isomeric Smiles
N1(C(=O)C(c2ccc(cc2)CC(C)C)C)CCC(C(=O)c2ccccc2)CC1
Calculated Properties
JChem
Acid pKa
16.319403
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
5.3113174
LogD (pH = 7.4)
5.3113174
Log P
5.3113174
Molar Refractivity
114.5465
Polarizability
44.34025
Polar Surface Area
37.38
Rotatable Bonds
6
Lipinski's Rule of Five
false
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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