Molecule

ID:74783

General Information
Structure
MolImage
Molecular Formula
C₂₀H₂₉NO
Molecular Mass
299.45036
Exact Mass
299.22491455
Charge
0
InChI
InChI=1S/C20H29NO/c1-4-6-8-16(5-2)11-10-15(3)18-13-12-17-9-7-14-21-19(17)20(18)22/h7,9,12-16,22H,4-6,8,10-11H2,1-3H3
InChIKey
YWACCMLWVBYNHR-UHFFFAOYSA-N
Canonic Smiles
CCCCC(CCC(c1ccc2c(c1O)nccc2)C)CC
Isomeric Smiles
n1cccc2ccc(c(c12)O)C(CCC(CCCC)CC)C
Calculated Properties
JChem
Acid pKa
9.700987
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
6.445545
LogD (pH = 7.4)
6.4687605
Log P
6.471344
Molar Refractivity
92.9066
Polarizability
37.833202
Polar Surface Area
33.12
Rotatable Bonds
8
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
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References
Bioactivity
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