Molecule

ID:128378

General Information
Structure
MolImage
Molecular Formula
C₁₉H₂₈O₂
Molecular Mass
288.42442
Exact Mass
288.20893014
Charge
0
InChI
InChI=1S/C19H28O2/c1-18-9-7-15-14-6-4-13(20)11-12(14)3-5-16(15)17(18)8-10-19(18,2)21/h11,14-17,21H,3-10H2,1-2H3/t14-,15+,16+,17-,18-,19-/m0/s1
InChIKey
ZXSWTMLNIIZPET-ZOFHRBRSSA-N
Canonic Smiles
O=C1CC[C@H]2C(=C1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@]2(C)O)C
Isomeric Smiles
C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C)O)CCC1=CC(=O)CC[C@H]31
Calculated Properties
JChem
Acid pKa
19.278757
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
3.3459525
LogD (pH = 7.4)
3.3459527
Log P
3.3459527
Molar Refractivity
84.5929
Polarizability
33.260063
Polar Surface Area
37.3
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
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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