Molecule

ID:3561

General Information
Structure
MolImage
Molecular Formula
C₁₉H₃₂O₂
Molecular Mass
292.45618
Exact Mass
292.24023026
Charge
0
InChI
InChI=1S/C19H32O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h12-17,20-21H,3-11H2,1-2H3/t12-,13-,14-,15-,16-,17+,18-,19-/m0/s1
InChIKey
CBMYJHIOYJEBSB-MFXFBURESA-N
Canonic Smiles
O[C@H]1CC[C@]2([C@H](C1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@H]2O)C)C
Isomeric Smiles
C1[C@@]2(C)[C@H](C[C@H](C1)O)CC[C@H]1[C@H]3[C@](CC[C@H]21)([C@@H](CC3)O)C
Calculated Properties
JChem
Acid pKa
18.296396
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
3.2037566
LogD (pH = 7.4)
3.2037568
Log P
3.2037568
Molar Refractivity
84.6312
Polarizability
34.047752
Polar Surface Area
40.46
Rotatable Bonds
0
Lipinski's Rule of Five
true
ALOGPS 2.1
Log P
3.56
LOG S
-4.18
Solubility (Water)
1.93e-02 g/l
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