Molecule

ID:73026

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₄O₂
Molecular Mass
236.34986
Exact Mass
236.17763001
Charge
0
InChI
InChI=1S/C15H24O2/c1-9(2)13-8-14-11(4)5-6-12(14)10(3)7-15(13,16)17-14/h9,11-13,16H,3,5-8H2,1-2,4H3/t11-,12-,13-,14-,15+/m0/s1
InChIKey
QRMPRVXWPCLVNI-YYFQZIEXSA-N
Canonic Smiles
CC([C@@H]1C[C@]23O[C@]1(O)CC(=C)[C@@H]3CC[C@@H]2C)C
Isomeric Smiles
C1(=C)[C@H]2[C@]3(C[C@H]([C@](C1)(O)O3)C(C)C)[C@H](CC2)C
Calculated Properties
JChem
Acid pKa
11.751473
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
3.0727634
LogD (pH = 7.4)
3.0727444
Log P
3.0727637
Molar Refractivity
67.9193
Polarizability
27.240015
Polar Surface Area
29.46
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Loading...
Names and Identifiers
Loading...
Registration numbers
Loading...
Properties
Loading...
Related Proteins
No Data Available
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
Loading...
References
Loading...
Bioactivity
Loading...