Molecule

ID:131984

General Information
Structure
MolImage
Molecular Formula
C₁₉H₃₀O₃
Molecular Mass
306.4397
Exact Mass
306.21949482
Charge
0
InChI
InChI=1S/C19H30O3/c1-18-7-5-12(20)9-11(18)3-4-13-14(18)6-8-19(2)15(13)10-16(21)17(19)22/h11-16,20-21H,3-10H2,1-2H3/t11-,12+,13+,14-,15-,16+,18-,19-/m0/s1
InChIKey
HLQYTKUIIJTNHH-LLIWRYSGSA-N
Canonic Smiles
O[C@@H]1CC[C@]2([C@H](C1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1C[C@H](C2=O)O)C)C
Isomeric Smiles
C[C@]12CC[C@H](C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2([C@H]1C[C@H](C2=O)O)C)O
Calculated Properties
JChem
Acid pKa
13.382232
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
2.8962185
LogD (pH = 7.4)
2.896218
Log P
2.8962185
Molar Refractivity
85.3011
Polarizability
34.120876
Polar Surface Area
57.53
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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