Molecule

ID:127712

General Information
Structure
MolImage
Molecular Formula
C₁₉H₂₉NO₃
Molecular Mass
319.43846
Exact Mass
319.21474379
Charge
0
InChI
InChI=1S/C19H29NO3/c1-4-15(2)9-7-5-6-8-10-19(22)20-14-16-11-12-17(21)18(13-16)23-3/h7,9,11-13,15,21H,4-6,8,10,14H2,1-3H3,(H,20,22)
InChIKey
MLJGZARGNROKAC-UHFFFAOYSA-N
Canonic Smiles
CCC(/C=C/CCCCC(=O)NCc1ccc(c(c1)OC)O)C
Isomeric Smiles
O=C(NCc1cc(OC)c(O)cc1)CCCC/C=C/C(C)CC
Calculated Properties
JChem
Acid pKa
9.928692
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
4.1942215
LogD (pH = 7.4)
4.192963
Log P
4.194238
Molar Refractivity
94.9184
Polarizability
36.513744
Polar Surface Area
58.56
Rotatable Bonds
10
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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