Molecule

ID:125186

General Information
Structure
MolImage
Molecular Formula
C₁₈H₂₈O₂
Molecular Mass
276.41372
Exact Mass
276.20893014
Charge
0
InChI
InChI=1S/C18H28O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h11-16,19H,2-10H2,1H3/t11-,12+,13-,14+,15+,16-,18-/m0/s1
InChIKey
UOUIARGWRPHDBX-CQZDKXCPSA-N
Canonic Smiles
O[C@@H]1CC[C@H]2[C@H](C1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CCC2=O)C
Isomeric Smiles
C[C@]12CC[C@@H]3[C@H]4CC[C@H](C[C@@H]4CC[C@H]3[C@@H]1CCC2=O)O
Calculated Properties
JChem
Acid pKa
18.30947
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
3.4672375
LogD (pH = 7.4)
3.4672375
Log P
3.4672375
Molar Refractivity
79.3338
Polarizability
31.657364
Polar Surface Area
37.3
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
Click here to submit data
Related Proteins
No Data Available
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
References
Bioactivity
Navigation