Molecule

ID:129005

General Information
Structure
MolImage
Molecular Formula
C₁₉H₂₄O₃
Molecular Mass
300.39206
Exact Mass
300.17254463
Charge
0
InChI
InChI=1S/C19H24O3/c1-11-6-7-15-14(8-11)18-16(21-13(3)20)9-12(2)10-17(18)22-19(15,4)5/h9-11H,6-8H2,1-5H3
InChIKey
AADNQNOXNWEYHS-UHFFFAOYSA-N
Canonic Smiles
CC1CCC2=C(C1)c1c(OC(=O)C)cc(cc1OC2(C)C)C
Isomeric Smiles
O=C(C)Oc1cc(C)cc2OC(C)(C)C3=C(c12)CC(CC3)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.249738
LogD (pH = 7.4)
4.249738
Log P
4.249738
Molar Refractivity
87.1374
Polarizability
33.984783
Polar Surface Area
35.53
Rotatable Bonds
2
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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